4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline

C16H20N2S — CID 43715642

IUPAC4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(CNc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C16H20N2S/c1-2-9-18(10-3-1)16-6-4-15(5-7-16)17-12-14-8-11-19-13-14/h4-8,11,13,17H,1-3,9-10,12H2
InChIKeyZYPJXYGLWTXECI-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.35
Rot. Bonds4

About 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline

4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43715642) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
PubChem CID43715642
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(CNc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C16H20N2S/c1-2-9-18(10-3-1)16-6-4-15(5-7-16)17-12-14-8-11-19-13-14/h4-8,11,13,17H,1-3,9-10,12H2
InChIKeyZYPJXYGLWTXECI-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline 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-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[(1-ethenylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 106936091
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 39447919

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline (CID 43715642) is 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline is c1cc(CNc2ccc(N3CCCCC3)cc2)cs1.
What is the InChIKey of 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is ZYPJXYGLWTXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-9-18(10-3-1)16-6-4-15(5-7-16)17-12-14-8-11-19-13-14/h4-8,11,13,17H,1-3,9-10,12H2.
What are the key properties of 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline?
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 272.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).