2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline

C19H31N3 — CID 82070762

IUPAC2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
SMILESNc1cc(CCCN2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C19H31N3/c20-18-16-17(8-7-13-21-11-3-1-4-12-21)9-10-19(18)22-14-5-2-6-15-22/h9-10,16H,1-8,11-15,20H2
InChIKeyPYCRFLZDTSYUAU-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.68
Rot. Bonds5

About 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline

2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline (PubChem CID 82070762) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
PubChem CID82070762
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
SMILESNc1cc(CCCN2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C19H31N3/c20-18-16-17(8-7-13-21-11-3-1-4-12-21)9-10-19(18)22-14-5-2-6-15-22/h9-10,16H,1-8,11-15,20H2
InChIKeyPYCRFLZDTSYUAU-UHFFFAOYSA-N
XLogP3.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)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

5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
N-[3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl]cyclooctanamine
CID 39113096
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
CID 82071739
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
5-(3-anilinopropyl)-2-pyrrolidin-1-ylaniline
CID 39112407
5-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)aniline
CID 82027795
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
CID 137374606
5-benzyl-2-pyrrolidin-1-ylaniline
CID 39356087
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline (CID 82070762) is 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline is Nc1cc(CCCN2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is PYCRFLZDTSYUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c20-18-16-17(8-7-13-21-11-3-1-4-12-21)9-10-19(18)22-14-5-2-6-15-22/h9-10,16H,1-8,11-15,20H2.
What are the key properties of 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline?
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 301.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 82070762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).