[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine

C16H22N2OS — CID 115963060

IUPAC[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2csc3ccccc23)C(CN)C1
InChIInChI=1S/C16H22N2OS/c1-19-14-6-7-18(13(8-14)9-17)10-12-11-20-16-5-3-2-4-15(12)16/h2-5,11,13-14H,6-10,17H2,1H3
InChIKeyPQIBOVRZEQCHPW-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.84
Rot. Bonds4

About [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine

[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 115963060) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID115963060
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2csc3ccccc23)C(CN)C1
InChIInChI=1S/C16H22N2OS/c1-19-14-6-7-18(13(8-14)9-17)10-12-11-20-16-5-3-2-4-15(12)16/h2-5,11,13-14H,6-10,17H2,1H3
InChIKeyPQIBOVRZEQCHPW-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine 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

[1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622737
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
CID 114337925
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
1-[1-(1-benzothiophen-3-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338668
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
CID 112622527
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
4-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 115963662
3-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-4-methoxybenzonitrile
CID 115963753

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine (CID 115963060) is [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(Cc2csc3ccccc23)C(CN)C1.
What is the InChIKey of [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is PQIBOVRZEQCHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-19-14-6-7-18(13(8-14)9-17)10-12-11-20-16-5-3-2-4-15(12)16/h2-5,11,13-14H,6-10,17H2,1H3.
What are the key properties of [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-ylmethyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 115963060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).