4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride

C16H24ClFN2O — CID 171168177

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1F
InChIInChI=1S/C16H23FN2O.ClH/c17-14-11-13(5-6-15(14)20)16(12-3-1-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18,20H,1-4,7-10H2;1H/t16-;/m1./s1
InChIKeyGRGLYKPNHOCLHH-PKLMIRHRSA-N
MW314.83 g/mol
LogP3.09
Rot. Bonds3

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride (PubChem CID 171168177) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
PubChem CID171168177
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride
SMILESCl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1F
InChIInChI=1S/C16H23FN2O.ClH/c17-14-11-13(5-6-15(14)20)16(12-3-1-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18,20H,1-4,7-10H2;1H/t16-;/m1./s1
InChIKeyGRGLYKPNHOCLHH-PKLMIRHRSA-N
XLogP3.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(R)-cyclohexyl-(3-fluoro-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287647
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]-2-nitrophenol;dihydrochloride
CID 171273897

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride (CID 171168177) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride is Cl.Oc1ccc([C@@H](C2CCCC2)N2CCNCC2)cc1F.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride?
The InChIKey is GRGLYKPNHOCLHH-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c17-14-11-13(5-6-15(14)20)16(12-3-1-2-4-12)19-9-7-18-8-10-19;/h5-6,11-12,16,18,20H,1-4,7-10H2;1H/t16-;/m1./s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-2-fluorophenol;hydrochloride is sourced from PubChem (CID 171168177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).