(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine

C12H16ClFN2 — CID 82713463

IUPAC(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyFJPPQWSCJPFFFT-SECBINFHSA-N
MW242.72 g/mol
LogP2.27
Rot. Bonds2

About (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine

(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine (PubChem CID 82713463) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
PubChem CID82713463
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1
InChIKeyFJPPQWSCJPFFFT-SECBINFHSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-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

Related Compounds

(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine
CID 120839244
(2R)-1-[(2-bromo-6-fluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839243
(2S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperazine
CID 95212246
2-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 64832751
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
1-[(2,3-difluorophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916613
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64871995
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine (CID 82713463) is (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine is C[C@@H]1CNCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is FJPPQWSCJPFFFT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-9-7-15-5-6-16(9)8-10-11(13)3-2-4-12(10)14/h2-4,9,15H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine?
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 242.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 82713463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).