1-(3-chloro-5-methyl-2-pyridinyl)piperazine

C10H14ClN3 — CID 58157332

IUPAC1-(3-chloro-5-methyl-2-pyridinyl)piperazine
SMILESCc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3/c1-8-6-9(11)10(13-7-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3
InChIKeyLICKYJHSJCZUNR-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-chloro-5-methyl-2-pyridinyl)piperazine

1-(3-chloro-5-methyl-2-pyridinyl)piperazine (PubChem CID 58157332) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-2-pyridinyl)piperazine
PubChem CID58157332
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(3-chloro-5-methyl-2-pyridinyl)piperazine
SMILESCc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C10H14ClN3/c1-8-6-9(11)10(13-7-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3
InChIKeyLICKYJHSJCZUNR-UHFFFAOYSA-N
XLogP1.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-5-methyl-2-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)piperazine (CID 58157332) is 1-(3-chloro-5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3-chloro-5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)piperazine is Cc1cnc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methyl-2-pyridinyl)piperazine?
The InChIKey is LICKYJHSJCZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-6-9(11)10(13-7-8)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-5-methyl-2-pyridinyl)piperazine?
1-(3-chloro-5-methyl-2-pyridinyl)piperazine has a molecular weight of 211.70 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 58157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).