1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine

C16H22F2N2 — CID 95483787

IUPAC1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1F
InChIInChI=1S/C16H22F2N2/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1
InChIKeyQKMLYIZLOPNHON-INIZCTEOSA-N
MW280.36 g/mol
LogP3.10
Rot. Bonds3

About 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine

1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine (PubChem CID 95483787) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
PubChem CID95483787
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1F
InChIInChI=1S/C16H22F2N2/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1
InChIKeyQKMLYIZLOPNHON-INIZCTEOSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
CID 171168177
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(R)-cyclopentyl-(4-fluoro-3-nitrophenyl)methyl]piperazine
CID 171291434
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine (CID 95483787) is 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine is Fc1ccc([C@H](C2CCCC2)N2CCNCC2)cc1F.
What is the InChIKey of 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine?
The InChIKey is QKMLYIZLOPNHON-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-14-6-5-13(11-15(14)18)16(12-3-1-2-4-12)20-9-7-19-8-10-20/h5-6,11-12,16,19H,1-4,7-10H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine?
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine has a molecular weight of 280.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 95483787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).