1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride

C17H26ClFN2O — CID 171164961

IUPAC1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-21-16-12-14(6-7-15(16)18)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;1H/t17-;/m0./s1
InChIKeyISUIKDCMISWLBZ-LMOVPXPDSA-N
MW328.86 g/mol
LogP3.39
Rot. Bonds4

About 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride

1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 171164961) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID171164961
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-21-16-12-14(6-7-15(16)18)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;1H/t17-;/m0./s1
InChIKeyISUIKDCMISWLBZ-LMOVPXPDSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900
[4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280944
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(R)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride (CID 171164961) is 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride is COc1cc([C@H](C2CCCC2)N2CCNCC2)ccc1F.Cl.
What is the InChIKey of 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is ISUIKDCMISWLBZ-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-21-16-12-14(6-7-15(16)18)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;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride?
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171164961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).