1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine

C17H25FN2O — CID 171170170

IUPAC1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c1-21-16-12-14(18)6-7-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20/h6-7,12-13,17,19H,2-5,8-11H2,1H3/t17-/m1/s1
InChIKeyZBVQVQFFZFDBFD-QGZVFWFLSA-N
MW292.40 g/mol
LogP2.97
Rot. Bonds4

About 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine

1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine (PubChem CID 171170170) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
PubChem CID171170170
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
SMILESCOc1cc(F)ccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O/c1-21-16-12-14(18)6-7-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20/h6-7,12-13,17,19H,2-5,8-11H2,1H3/t17-/m1/s1
InChIKeyZBVQVQFFZFDBFD-QGZVFWFLSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
1-[(S)-cyclohexyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171167987
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181596
1-[(S)-cyclobutyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171181597
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine (CID 171170170) is 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine is COc1cc(F)ccc1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is ZBVQVQFFZFDBFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-16-12-14(18)6-7-15(16)17(13-4-2-3-5-13)20-10-8-19-9-11-20/h6-7,12-13,17,19H,2-5,8-11H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine?
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 292.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171170170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).