1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride

C14H18ClNS — CID 15945777

IUPAC1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H
InChIKeyMKDRHQBQBHMVNP-UHFFFAOYSA-N
MW267.82 g/mol
LogP4.31
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride

1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride (PubChem CID 15945777) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride
PubChem CID15945777
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride
SMILESCl.c1ccc2c(CN3CCCCC3)csc2c1
InChIInChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H
InChIKeyMKDRHQBQBHMVNP-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Btcp
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1-(1-Benzo[b]thiophen-2-yl-cyclopentyl)-azepane
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1,3,4,5,6,11b-Hexahydro-2H-11-thia-4a-aza-benzo[a]fluorene
CID 13507646
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-azepane
CID 14952700
1-[3-(1-Benzothiophen-4-yl)propyl]-3,3-dimethylpiperidine;hydrochloride
CID 57394127
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dimethyl-amine
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CID 398371

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride (CID 15945777) is 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride is Cl.c1ccc2c(CN3CCCCC3)csc2c1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is MKDRHQBQBHMVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.ClH/c1-4-8-15(9-5-1)10-12-11-16-14-7-3-2-6-13(12)14;/h2-3,6-7,11H,1,4-5,8-10H2;1H.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride?
1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 267.82 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 15945777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).