1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

C16H23ClN2S — CID 119925714

IUPAC1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2csc3ccccc23)C1.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16;/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3;1H
InChIKeySDQABQNLSWQKJP-UHFFFAOYSA-N
MW310.89 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride

1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925714) has the molecular formula C16H23ClN2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925714
Molecular FormulaC16H23ClN2S
Molecular Weight310.89 g/mol
Exact Mass310.13
IUPAC Name1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(Cc2csc3ccccc23)C1.Cl
InChIInChI=1S/C16H22N2S.ClH/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16;/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3;1H
InChIKeySDQABQNLSWQKJP-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-(1-benzothiophen-3-ylmethyl)-3-(2-chloroethyl)pyrrolidine
CID 114800517
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride (CID 119925714) is 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(Cc2csc3ccccc23)C1.Cl.
What is the InChIKey of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is SDQABQNLSWQKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S.ClH/c1-12(17)13-5-4-8-18(9-13)10-14-11-19-16-7-3-2-6-15(14)16;/h2-3,6-7,11-13H,4-5,8-10,17H2,1H3;1H.
What are the key properties of 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride?
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).