4-piperidin-1-yl-2-pyridin-3-ylaniline

C16H19N3 — CID 171118345

IUPAC4-piperidin-1-yl-2-pyridin-3-ylaniline
SMILESNc1ccc(N2CCCCC2)cc1-c1cccnc1
InChIInChI=1S/C16H19N3/c17-16-7-6-14(19-9-2-1-3-10-19)11-15(16)13-5-4-8-18-12-13/h4-8,11-12H,1-3,9-10,17H2
InChIKeyQPXIFPBXDNSIQH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.32
Rot. Bonds2

About 4-piperidin-1-yl-2-pyridin-3-ylaniline

4-piperidin-1-yl-2-pyridin-3-ylaniline (PubChem CID 171118345) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-pyridin-3-ylaniline.

Molecular Properties

Compound Name4-piperidin-1-yl-2-pyridin-3-ylaniline
PubChem CID171118345
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-piperidin-1-yl-2-pyridin-3-ylaniline
SMILESNc1ccc(N2CCCCC2)cc1-c1cccnc1
InChIInChI=1S/C16H19N3/c17-16-7-6-14(19-9-2-1-3-10-19)11-15(16)13-5-4-8-18-12-13/h4-8,11-12H,1-3,9-10,17H2
InChIKeyQPXIFPBXDNSIQH-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-piperidin-1-yl-2-pyridin-3-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

3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
2,4-dipyridin-3-ylaniline
CID 46316358
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
6-(4-piperidin-1-ylphenyl)-2-pyridin-3-ylthieno[2,3-b]pyridine
CID 166882834
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
CID 172517182
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-pyridin-3-ylaniline?
The IUPAC name of 4-piperidin-1-yl-2-pyridin-3-ylaniline (CID 171118345) is 4-piperidin-1-yl-2-pyridin-3-ylaniline.
What is the SMILES notation for 4-piperidin-1-yl-2-pyridin-3-ylaniline?
The canonical SMILES for 4-piperidin-1-yl-2-pyridin-3-ylaniline is Nc1ccc(N2CCCCC2)cc1-c1cccnc1.
What is the InChIKey of 4-piperidin-1-yl-2-pyridin-3-ylaniline?
The InChIKey is QPXIFPBXDNSIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-16-7-6-14(19-9-2-1-3-10-19)11-15(16)13-5-4-8-18-12-13/h4-8,11-12H,1-3,9-10,17H2.
What are the key properties of 4-piperidin-1-yl-2-pyridin-3-ylaniline?
4-piperidin-1-yl-2-pyridin-3-ylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-pyridin-3-ylaniline is sourced from PubChem (CID 171118345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).