[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine

C16H22N2S — CID 114910251

IUPAC[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESCC(c1cc2ccccc2s1)N1CCCC(CN)C1
InChIInChI=1S/C16H22N2S/c1-12(18-8-4-5-13(10-17)11-18)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13H,4-5,8,10-11,17H2,1H3
InChIKeyNVQQZSIIHAEWQE-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.63
Rot. Bonds3

About [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine

[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 114910251) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID114910251
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESCC(c1cc2ccccc2s1)N1CCCC(CN)C1
InChIInChI=1S/C16H22N2S/c1-12(18-8-4-5-13(10-17)11-18)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13H,4-5,8,10-11,17H2,1H3
InChIKeyNVQQZSIIHAEWQE-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Btcp
CID 123692
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine
CID 618552
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
1-(1-Benzo[b]thiophen-2-yl-cyclohexyl)-azepane
CID 398369
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-cyclopropylmethyl-amine
CID 10424083
1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine
CID 192370
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dimethyl-amine
CID 398363
1-(1-Benzo[b]thiophen-2-yl-cycloheptyl)-piperidine
CID 398373
Thionaphthene, 2-[1-(1-piperidyl)cyclopentyl]-
CID 398418
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dibutyl-amine
CID 439053
Ethan-1,2-diamine, N-[1-(2-thionaphthenyl)cyclohexyl]-N'-methyl-
CID 611997

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine (CID 114910251) is [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine is CC(c1cc2ccccc2s1)N1CCCC(CN)C1.
What is the InChIKey of [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is NVQQZSIIHAEWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(18-8-4-5-13(10-17)11-18)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13H,4-5,8,10-11,17H2,1H3.
What are the key properties of [1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine?
[1-[1-(1-benzothiophen-2-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 3.63, 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-2-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114910251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).