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

C15H17ClN4 — CID 43318153

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN4/c16-12-3-5-13(6-4-12)19-8-10-20(11-9-19)15-14(17)2-1-7-18-15/h1-7H,8-11,17H2
InChIKeyJIKQJTLKDLTVSS-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.64
Rot. Bonds2

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

2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 43318153) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID43318153
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN4/c16-12-3-5-13(6-4-12)19-8-10-20(11-9-19)15-14(17)2-1-7-18-15/h1-7H,8-11,17H2
InChIKeyJIKQJTLKDLTVSS-UHFFFAOYSA-N
XLogP2.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 115473660
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 63205864
4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 80754256
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]benzonitrile
CID 133274035
2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
CID 65275814
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (CID 43318153) is 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1cccnc1N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is JIKQJTLKDLTVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-3-5-13(6-4-12)19-8-10-20(11-9-19)15-14(17)2-1-7-18-15/h1-7H,8-11,17H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 288.78 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 43318153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).