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

C19H26ClNS — CID 11957484

IUPAC1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride
SMILESCl.c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1
InChIInChI=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
InChIKeyXBOZTWUGBRZVBP-UHFFFAOYSA-N
MW335.94 g/mol
LogP5.97
Rot. Bonds2

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

1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride (PubChem CID 11957484) has the molecular formula C19H26ClNS and a molecular weight of 335.94 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride
PubChem CID11957484
Molecular FormulaC19H26ClNS
Molecular Weight335.94 g/mol
Exact Mass335.15
IUPAC Name1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride
SMILESCl.c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1
InChIInChI=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
InChIKeyXBOZTWUGBRZVBP-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.94
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride (CID 11957484) is 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride is Cl.c1ccc2sc(C3(N4CCCCC4)CCCCC3)cc2c1.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride?
The InChIKey is XBOZTWUGBRZVBP-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride?
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride has a molecular weight of 335.94 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine;hydrochloride is sourced from PubChem (CID 11957484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).