CAS 123855-51-6|tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate|4-(Hydroxymethyl)piperidine, N-BOC protected 97%|tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate|tert-Butyl 4-(hydroxymethyl...

General Information

Structure

Molecular Formula

C₁₁H₂₁NO₃

Molecular Mass

215.28934

Exact Mass

215.15214354

Charge

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3

InChIKey

CTEDVGRUGMPBHE-UHFFFAOYSA-N

Canonic Smiles

OCC1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCC(CC1)CO)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.467144

H Acceptors

H Donor

LogD (pH = 5.5)

0.8689749

LogD (pH = 7.4)

0.8689749

Log P

0.8689749

Molar Refractivity

58.2308

Polarizability

22.806097

Polar Surface Area

49.77

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Hydroxymethyl)piperidine, N-BOC protected 97%tert-Butyl 4-(hydroxymethyl)piperidine-1-carboxylateN-叔丁氧羰基-4-哌啶甲醇N-Boc-4-哌啶甲醇tert-Butyl 4-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylateN-tert-Butyloxycarbonyl-4-piperidinemethanolN-Boc-4-piperidinemethanol1-(tert-Butoxycarbonyl)-4-(hydroxymethyl)piperidine4-(Hydroxymethyl)piperidine, N-BOC protected 90%N-Boc-4-piperidinemethanolN-(tert-Butoxycarbonyl)-4-piperidinemethanoltert-butyl 4-(Hydroxymethyl)piperidine-1-carboxylateN-tert-Butoxycarbonyl-4-piperidinemethanol1-Boc-4-piperidinemethanol1-Boc-4-哌啶甲醇

IUPAC Traditional name

tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate

IUPAC name

tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD02094488

CAS Number

123855-51-6

PubChem SID

24879512162046493