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

C17H24ClFN2 — CID 171171851

IUPAC1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
SMILESCc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1Cl
InChIInChI=1S/C17H24ClFN2/c1-12-6-7-14(19)15(16(12)18)17(13-4-2-3-5-13)21-10-8-20-9-11-21/h6-7,13,17,20H,2-5,8-11H2,1H3/t17-/m1/s1
InChIKeyQOKSFELLPQUCHY-QGZVFWFLSA-N
MW310.84 g/mol
LogP3.92
Rot. Bonds3

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

1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine (PubChem CID 171171851) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
PubChem CID171171851
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC Name1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
SMILESCc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1Cl
InChIInChI=1S/C17H24ClFN2/c1-12-6-7-14(19)15(16(12)18)17(13-4-2-3-5-13)21-10-8-20-9-11-21/h6-7,13,17,20H,2-5,8-11H2,1H3/t17-/m1/s1
InChIKeyQOKSFELLPQUCHY-QGZVFWFLSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171299570
1-[(S)-cyclohexyl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164678
1-[(S)-cyclopentyl-(2,6-difluoro-3-methoxyphenyl)methyl]piperazine
CID 171167774

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine (CID 171171851) is 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine is Cc1ccc(F)c([C@@H](C2CCCC2)N2CCNCC2)c1Cl.
What is the InChIKey of 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine?
The InChIKey is QOKSFELLPQUCHY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-12-6-7-14(19)15(16(12)18)17(13-4-2-3-5-13)21-10-8-20-9-11-21/h6-7,13,17,20H,2-5,8-11H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine?
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine has a molecular weight of 310.84 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171171851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).