(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine

C10H14ClN3 — CID 96905168

IUPAC(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(Cl)ccn1
InChIInChI=1S/C10H14ClN3/c1-8-7-12-4-5-14(8)10-6-9(11)2-3-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyFHDZRXYQCQLERR-QMMMGPOBSA-N
MW211.70 g/mol
LogP1.53
Rot. Bonds1

About (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine

(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine (PubChem CID 96905168) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
PubChem CID96905168
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(Cl)ccn1
InChIInChI=1S/C10H14ClN3/c1-8-7-12-4-5-14(8)10-6-9(11)2-3-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyFHDZRXYQCQLERR-QMMMGPOBSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-chloro-2-pyridinyl)-2-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 (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine (CID 96905168) is (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine is C[C@H]1CNCCN1c1cc(Cl)ccn1.
What is the InChIKey of (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine?
The InChIKey is FHDZRXYQCQLERR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-7-12-4-5-14(8)10-6-9(11)2-3-13-10/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine?
(2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine has a molecular weight of 211.70 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-2-pyridinyl)-2-methylpiperazine is sourced from PubChem (CID 96905168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).