4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride

C16H24ClFN2O — CID 171162966

IUPAC4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
SMILESCl.Oc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H23FN2O.ClH/c17-15-11-13(20)5-6-14(15)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-;/m0./s1
InChIKeyDPLWXQQLZUJUPD-NTISSMGPSA-N
MW314.83 g/mol
LogP3.09
Rot. Bonds3

About 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride

4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride (PubChem CID 171162966) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
PubChem CID171162966
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
SMILESCl.Oc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1
InChIInChI=1S/C16H23FN2O.ClH/c17-15-11-13(20)5-6-14(15)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-;/m0./s1
InChIKeyDPLWXQQLZUJUPD-NTISSMGPSA-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

4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171291687
1-[(R)-cyclopentyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171170667
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
1-[(S)-cyclohexyl-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171165291
6-[(S)-cyclobutyl(piperazin-1-yl)methyl]-2,3-difluorophenol;dihydrochloride
CID 171297572
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride?
The IUPAC name of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride (CID 171162966) is 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride.
What is the SMILES notation for 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride?
The canonical SMILES for 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride is Cl.Oc1ccc([C@H](C2CCCC2)N2CCNCC2)c(F)c1.
What is the InChIKey of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride?
The InChIKey is DPLWXQQLZUJUPD-NTISSMGPSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c17-15-11-13(20)5-6-14(15)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-;/m0./s1.
What are the key properties of 4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride?
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-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-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride is sourced from PubChem (CID 171162966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).