3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol

C22H27FN2O — CID 71293978

IUPAC3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol
SMILESOc1cccc(C2CCC(N3CCN(c4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C22H27FN2O/c23-21-6-1-2-7-22(21)25-14-12-24(13-15-25)19-10-8-17(9-11-19)18-4-3-5-20(26)16-18/h1-7,16-17,19,26H,8-15H2
InChIKeyNKABJCRVINBRMO-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.38
Rot. Bonds3

About 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol

3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol (PubChem CID 71293978) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol.

Molecular Properties

Compound Name3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol
PubChem CID71293978
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol
SMILESOc1cccc(C2CCC(N3CCN(c4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C22H27FN2O/c23-21-6-1-2-7-22(21)25-14-12-24(13-15-25)19-10-8-17(9-11-19)18-4-3-5-20(26)16-18/h1-7,16-17,19,26H,8-15H2
InChIKeyNKABJCRVINBRMO-UHFFFAOYSA-N
XLogP4.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
[4-(2-fluorophenyl)piperazin-1-yl]-(3-hydroxyphenyl)methanethione
CID 1293347
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 71294230
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79515634
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
3-cyclohexylphenol
CID 16036
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79515253

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol?
The IUPAC name of 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol (CID 71293978) is 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol.
What is the SMILES notation for 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol?
The canonical SMILES for 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol is Oc1cccc(C2CCC(N3CCN(c4ccccc4F)CC3)CC2)c1.
What is the InChIKey of 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol?
The InChIKey is NKABJCRVINBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-21-6-1-2-7-22(21)25-14-12-24(13-15-25)19-10-8-17(9-11-19)18-4-3-5-20(26)16-18/h1-7,16-17,19,26H,8-15H2.
What are the key properties of 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol?
3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol has a molecular weight of 354.47 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol is sourced from PubChem (CID 71293978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).