1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride

C17H26ClFN2 — CID 171163455

IUPAC1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H25FN2.ClH/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20;/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2;1H/t17-;/m0./s1
InChIKeyWFSBRIYERPOPLZ-LMOVPXPDSA-N
MW312.86 g/mol
LogP3.77
Rot. Bonds3

About 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride

1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171163455) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171163455
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H25FN2.ClH/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20;/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2;1H/t17-;/m0./s1
InChIKeyWFSBRIYERPOPLZ-LMOVPXPDSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclohexyl-(3-iodophenyl)methyl]piperazine
CID 171293328
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171289449
1-[(S)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;hydrochloride
CID 171164020

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride (CID 171163455) is 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1cccc([C@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is WFSBRIYERPOPLZ-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H25FN2.ClH/c18-16-8-4-7-15(13-16)17(14-5-2-1-3-6-14)20-11-9-19-10-12-20;/h4,7-8,13-14,17,19H,1-3,5-6,9-12H2;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride?
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171163455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).