1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride

C14H17Cl2NS — CID 15945612

IUPAC1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccc2scc(CN3CCCCC3)c2c1
InChIInChI=1S/C14H16ClNS.ClH/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16;/h4-5,8,10H,1-3,6-7,9H2;1H
InChIKeySUMGZNQCHOKEER-UHFFFAOYSA-N
MW302.27 g/mol
LogP4.96
Rot. Bonds2

About 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride

1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride (PubChem CID 15945612) has the molecular formula C14H17Cl2NS and a molecular weight of 302.27 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride
PubChem CID15945612
Molecular FormulaC14H17Cl2NS
Molecular Weight302.27 g/mol
Exact Mass301.05
IUPAC Name1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccc2scc(CN3CCCCC3)c2c1
InChIInChI=1S/C14H16ClNS.ClH/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16;/h4-5,8,10H,1-3,6-7,9H2;1H
InChIKeySUMGZNQCHOKEER-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride (CID 15945612) is 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride is Cl.Clc1ccc2scc(CN3CCCCC3)c2c1.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride?
The InChIKey is SUMGZNQCHOKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS.ClH/c15-12-4-5-14-13(8-12)11(10-17-14)9-16-6-2-1-3-7-16;/h4-5,8,10H,1-3,6-7,9H2;1H.
What are the key properties of 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride?
1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride has a molecular weight of 302.27 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-3-yl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 15945612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).