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

C17H26ClFN2O — CID 171168246

IUPAC2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O.ClH/c18-14-6-7-16(21)15(12-14)17(13-4-2-1-3-5-13)20-10-8-19-9-11-20;/h6-7,12-13,17,19,21H,1-5,8-11H2;1H/t17-;/m1./s1
InChIKeyYWIYIDBVOMNLHD-UNTBIKODSA-N
MW328.86 g/mol
LogP3.48
Rot. Bonds3

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

2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride (PubChem CID 171168246) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
PubChem CID171168246
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC Name2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H25FN2O.ClH/c18-14-6-7-16(21)15(12-14)17(13-4-2-1-3-5-13)20-10-8-19-9-11-20;/h6-7,12-13,17,19,21H,1-5,8-11H2;1H/t17-;/m1./s1
InChIKeyYWIYIDBVOMNLHD-UNTBIKODSA-N
XLogP3.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288497
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171166052
1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
1-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292518

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride (CID 171168246) is 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride is Cl.Oc1ccc(F)cc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride?
The InChIKey is YWIYIDBVOMNLHD-UNTBIKODSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c18-14-6-7-16(21)15(12-14)17(13-4-2-1-3-5-13)20-10-8-19-9-11-20;/h6-7,12-13,17,19,21H,1-5,8-11H2;1H/t17-;/m1./s1.
What are the key properties of 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride?
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).