1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

C15H23ClN4 — CID 120898300

IUPAC1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1
InChIInChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGFGZOMXQRXBGPI-UHFFFAOYSA-N
MW294.83 g/mol
LogP1.86
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 120898300) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
PubChem CID120898300
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1
InChIInChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGFGZOMXQRXBGPI-UHFFFAOYSA-N
XLogP1.86
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]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-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine (CID 120898300) is 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is CC1(CN2CCN(c3ccc(Cl)cn3)CC2)CCNC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is GFGZOMXQRXBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-15(4-5-17-11-15)12-19-6-8-20(9-7-19)14-3-2-13(16)10-18-14/h2-3,10,17H,4-9,11-12H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 294.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 120898300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).