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

C11H14ClFN2 — CID 11572148

IUPAC(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyYXSBPRDHVUGCQV-QMMMGPOBSA-N
MW228.70 g/mol
LogP2.28
Rot. Bonds1

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

(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine (PubChem CID 11572148) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
PubChem CID11572148
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyYXSBPRDHVUGCQV-QMMMGPOBSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine (CID 11572148) is (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine is C[C@H]1CNCCN1c1ccc(F)cc1Cl.
What is the InChIKey of (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
The InChIKey is YXSBPRDHVUGCQV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-8-7-14-4-5-15(8)11-3-2-9(13)6-10(11)12/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine?
(2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine has a molecular weight of 228.70 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-4-fluorophenyl)-2-methylpiperazine is sourced from PubChem (CID 11572148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).