1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine

C12H16ClN3 — CID 145392697

IUPAC1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C12H16ClN3/c1-3-10-4-5-14-12(11(10)13)16-8-6-15(2)7-9-16/h3-5H,1,6-9H2,2H3
InChIKeyORKSEXPYHATQGH-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.13
Rot. Bonds2

About 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine

1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine (PubChem CID 145392697) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine
PubChem CID145392697
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1Cl
InChIInChI=1S/C12H16ClN3/c1-3-10-4-5-14-12(11(10)13)16-8-6-15(2)7-9-16/h3-5H,1,6-9H2,2H3
InChIKeyORKSEXPYHATQGH-UHFFFAOYSA-N
XLogP2.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine 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-4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine (CID 145392697) is 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine is C=Cc1ccnc(N2CCN(C)CC2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is ORKSEXPYHATQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-3-10-4-5-14-12(11(10)13)16-8-6-15(2)7-9-16/h3-5H,1,6-9H2,2H3.
What are the key properties of 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine?
1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 237.73 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethenyl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 145392697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).