5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine

C16H19ClN4 — CID 83970369

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)cnc1N
InChIInChI=1S/C16H19ClN4/c1-12-9-15(11-19-16(12)18)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19)
InChIKeyADOCHHCXFVHRRM-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.95
Rot. Bonds2

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine

5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine (PubChem CID 83970369) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
PubChem CID83970369
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(Cl)c3)CC2)cnc1N
InChIInChI=1S/C16H19ClN4/c1-12-9-15(11-19-16(12)18)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19)
InChIKeyADOCHHCXFVHRRM-UHFFFAOYSA-N
XLogP2.95
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine 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-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970373
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515867
6-[4-(3-chlorophenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555429
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine (CID 83970369) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine is Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)cnc1N.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The InChIKey is ADOCHHCXFVHRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-9-15(11-19-16(12)18)21-7-5-20(6-8-21)14-4-2-3-13(17)10-14/h2-4,9-11H,5-8H2,1H3,(H2,18,19).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine has a molecular weight of 302.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 83970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).