tert-butyl 4-{2-[4-(hydrazinecarbonyl)piperidin-1-yl]ethyl}piperazine-1-carboxylate|tert-butyl 4-{2-[4-(hydrazinecarbonyl)piperidin-1-yl]ethyl}piperazine-1-carboxylate|tert-Butyl 4-{2-[4-(hydrazinoc...

General Information

Structure

Molecular Formula

C₁₇H₃₃N₅O₃

Molecular Mass

355.47562

Exact Mass

355.25833994

Charge

InChI

InChI=1S/C17H33N5O3/c1-17(2,3)25-16(24)22-12-10-21(11-13-22)9-8-20-6-4-14(5-7-20)15(23)19-18/h14H,4-13,18H2,1-3H3,(H,19,23)

InChIKey

GEEWDLOQYUUIPL-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)C1CCN(CC1)CCN1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCN(CC1)CCN1CCC(C(=O)NN)CC1)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

12.975294

H Acceptors

H Donor

LogD (pH = 5.5)

-3.324862

LogD (pH = 7.4)

-1.7586018

Log P

-0.07422897

Molar Refractivity

98.4459

Polarizability

38.19467

Polar Surface Area

91.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

tert-Butyl 4-{2-[4-(hydrazinocarbonyl)piperidino]-ethyl}tetrahydro-1(2H)-pyrazinecarboxylate4-{2-[4-(Hydrazinocarbonyl)piperidin-1-yl]ethyl}piperazine, N1-BOC protectedtert-Butyl 4-{2-[4-(hydrazinocarbonyl)piperidin-1-yl]ethyl}tetrahydro-2H-pyrazine-1-carboxylatetert-butyl 4-{2-[4-(hydrazinocarbonyl)piperidino]ethyl}tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

tert-butyl 4-{2-[4-(hydrazinecarbonyl)piperidin-1-yl]ethyl}piperazine-1-carboxylate

IUPAC Traditional name

tert-butyl 4-{2-[4-(hydrazinecarbonyl)piperidin-1-yl]ethyl}piperazine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD06808601

PubChem SID

162048466

PubChem CID

18526154