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

C15H20N2S — CID 62425059

IUPAC[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1CN1CCCCC1
InChIInChI=1S/C15H20N2S/c16-10-15-13(11-17-8-4-1-5-9-17)12-6-2-3-7-14(12)18-15/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyKTBZGUSDSIZIAW-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.35
Rot. Bonds3

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

[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 62425059) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID62425059
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2ccccc2c1CN1CCCCC1
InChIInChI=1S/C15H20N2S/c16-10-15-13(11-17-8-4-1-5-9-17)12-6-2-3-7-14(12)18-15/h2-3,6-7H,1,4-5,8-11,16H2
InChIKeyKTBZGUSDSIZIAW-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62412418
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463
1-[3-(pyrrolidin-1-ylmethyl)-1-benzothiophen-2-yl]propan-2-amine
CID 46785337
[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62974110
[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458958
N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62418648
[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 114597100
[3-[(4-methylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62447807
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62447588
[3-[(3,5-diethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 82699302
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872

Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine (CID 62425059) is [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine is NCc1sc2ccccc2c1CN1CCCCC1.
What is the InChIKey of [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is KTBZGUSDSIZIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c16-10-15-13(11-17-8-4-1-5-9-17)12-6-2-3-7-14(12)18-15/h2-3,6-7H,1,4-5,8-11,16H2.
What are the key properties of [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine?
[3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-1-ylmethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62425059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).