CAS 112726-66-6|N-[1-(Benzo[b]thien-2-yl-cyclohexyl)]piperidine hydrochloride|1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine hydrochloride|BTCP hydrochloride|BTCP hydrochloride|BTCP HCl|1-[1-(1-be...

General Information

Structure

Molecular Formula

C₁₉H₂₆ClNS

Molecular Mass

335.93444

Exact Mass

335.14744852

Charge

InChI

InChI=1S/C19H25NS.ClH/c1-5-11-19(12-6-1,20-13-7-2-8-14-20)18-15-16-9-3-4-10-17(16)21-18;/h3-4,9-10,15H,1-2,5-8,11-14H2;1H

InChIKey

XBOZTWUGBRZVBP-UHFFFAOYSA-N

Canonic Smiles

C1CCN(CC1)C1(CCCCC1)c1cc2c(s1)cccc2.Cl

Isomeric Smiles

c1ccc2c(c1)cc(s2)C1(CCCCC1)N1CCCCC1.Cl

Calculated Properties

JChem

LogD (pH = 7.4)

2.70

LogD (pH = 5.5)

2.02

Log P

5.50

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

10.29

Polar Surface Area

3.24

Polarizability

35.39

Molar Refractivity

90.77

LOG S

-5.00

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

N-[1-(Benzo[b]thien-2-yl-cyclohexyl)]piperidine hydrochlorideBTCP hydrochlorideBTCP HCl1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidin-1-ium chloride1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidinium chloride1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine--hydrogen chlorideBTCP hydrochloridebenocyclidine hydrochloride1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine hydrochloridebenocyclidine HCl

IUPAC name

1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine hydrochloride

IUPAC Traditional name

BTCP hydrochloride

Names and Identifiers

Registration numbers

CAS Number

112726-66-6

PubChem SID

2427828316222768485379504

MDL Number

MFCD00153777