N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline

C17H22N2S — CID 30052168

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
SMILESCc1ccsc1CNc1ccccc1N1CCCCC1
InChIInChI=1S/C17H22N2S/c1-14-9-12-20-17(14)13-18-15-7-3-4-8-16(15)19-10-5-2-6-11-19/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3
InChIKeyWSWBZYKWKUZTPD-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.66
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline

N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline (PubChem CID 30052168) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
PubChem CID30052168
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
SMILESCc1ccsc1CNc1ccccc1N1CCCCC1
InChIInChI=1S/C17H22N2S/c1-14-9-12-20-17(14)13-18-15-7-3-4-8-16(15)19-10-5-2-6-11-19/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3
InChIKeyWSWBZYKWKUZTPD-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline 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

2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
CID 66385103
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
N-[(3-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43426528
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile
CID 79610426
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline (CID 30052168) is N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline is Cc1ccsc1CNc1ccccc1N1CCCCC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline?
The InChIKey is WSWBZYKWKUZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14-9-12-20-17(14)13-18-15-7-3-4-8-16(15)19-10-5-2-6-11-19/h3-4,7-9,12,18H,2,5-6,10-11,13H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline?
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline has a molecular weight of 286.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 30052168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).