1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine

C13H18ClFN2 — CID 171171913

IUPAC1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c([C@@H](C)N2CCNCC2)c1Cl
InChIInChI=1S/C13H18ClFN2/c1-9-3-4-11(15)12(13(9)14)10(2)17-7-5-16-6-8-17/h3-4,10,16H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyUSHPTCIAPMIUOV-SNVBAGLBSA-N
MW256.75 g/mol
LogP2.75
Rot. Bonds2

About 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine

1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine (PubChem CID 171171913) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine
PubChem CID171171913
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c([C@@H](C)N2CCNCC2)c1Cl
InChIInChI=1S/C13H18ClFN2/c1-9-3-4-11(15)12(13(9)14)10(2)17-7-5-16-6-8-17/h3-4,10,16H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyUSHPTCIAPMIUOV-SNVBAGLBSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine 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

1-[(1R)-1-(2-chloro-3,6-difluorophenyl)ethyl]piperazine;dihydrochloride
CID 171292637
3-fluoro-6-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171300875
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171166459
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)propyl]piperazine;hydrochloride
CID 171166493
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171280200
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)ethyl]piperazine
CID 171165963
1-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]piperazine
CID 171169947
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171166434
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171166503

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine (CID 171171913) is 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine is Cc1ccc(F)c([C@@H](C)N2CCNCC2)c1Cl.
What is the InChIKey of 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine?
The InChIKey is USHPTCIAPMIUOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-3-4-11(15)12(13(9)14)10(2)17-7-5-16-6-8-17/h3-4,10,16H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine?
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine has a molecular weight of 256.75 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 171171913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).