(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride

C13H16ClNS — CID 171194953

IUPAC(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
SMILESCl.c1ccc2c([C@@H]3CCCCN3)csc2c1
InChIInChI=1S/C13H15NS.ClH/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12;/h1-2,5,7,9,12,14H,3-4,6,8H2;1H/t12-;/m0./s1
InChIKeyNMJACALNHLKLQE-YDALLXLXSA-N
MW253.80 g/mol
LogP4.14
Rot. Bonds1

About (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride

(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride (PubChem CID 171194953) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
PubChem CID171194953
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
SMILESCl.c1ccc2c([C@@H]3CCCCN3)csc2c1
InChIInChI=1S/C13H15NS.ClH/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12;/h1-2,5,7,9,12,14H,3-4,6,8H2;1H/t12-;/m0./s1
InChIKeyNMJACALNHLKLQE-YDALLXLXSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)piperidine
CID 4538625
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
2-(1-benzothiophen-4-yl)pyrrolidine
CID 130002053
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-(2-methyl-1-benzothiophen-3-yl)piperidine
CID 116987459
2-(2-cyclopentylphenyl)piperidine
CID 115005914
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296484
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
4-(azepan-2-yl)quinoline
CID 81147055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride (CID 171194953) is (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride is Cl.c1ccc2c([C@@H]3CCCCN3)csc2c1.
What is the InChIKey of (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride?
The InChIKey is NMJACALNHLKLQE-YDALLXLXSA-N. The full InChI is InChI=1S/C13H15NS.ClH/c1-2-7-13-10(5-1)11(9-15-13)12-6-3-4-8-14-12;/h1-2,5,7,9,12,14H,3-4,6,8H2;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride?
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 171194953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).