3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine

C13H21ClN4 — CID 114046187

IUPAC3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
SMILESCC(CNc1ncc(N)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H21ClN4/c1-10(18-5-3-2-4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17)
InChIKeyQTBKEMUIGGPTCA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine

3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine (PubChem CID 114046187) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
PubChem CID114046187
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
SMILESCC(CNc1ncc(N)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H21ClN4/c1-10(18-5-3-2-4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17)
InChIKeyQTBKEMUIGGPTCA-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine 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

3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 105366766
2-chloro-5-fluoro-N-(2-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 79080736
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
4-N-(2-piperidin-1-ylpropyl)pyridine-2,4-diamine
CID 113367725
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
CID 103078748
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
6-hydrazinyl-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80900343
5-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridin-2-amine
CID 103582417

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine (CID 114046187) is 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine is CC(CNc1ncc(N)cc1Cl)N1CCCCC1.
What is the InChIKey of 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine?
The InChIKey is QTBKEMUIGGPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10(18-5-3-2-4-6-18)8-16-13-12(14)7-11(15)9-17-13/h7,9-10H,2-6,8,15H2,1H3,(H,16,17).
What are the key properties of 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine?
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 114046187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).