4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol

C23H29FN2O2 — CID 71294230

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(N3CCN(c4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-28-20-6-4-5-18(17-20)23(27)11-9-19(10-12-23)25-13-15-26(16-14-25)22-8-3-2-7-21(22)24/h2-8,17,19,27H,9-16H2,1H3
InChIKeyULBIPJGTVXLNND-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.79
Rot. Bonds4

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol

4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol (PubChem CID 71294230) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol
PubChem CID71294230
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(N3CCN(c4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C23H29FN2O2/c1-28-20-6-4-5-18(17-20)23(27)11-9-19(10-12-23)25-13-15-26(16-14-25)22-8-3-2-7-21(22)24/h2-8,17,19,27H,9-16H2,1H3
InChIKeyULBIPJGTVXLNND-UHFFFAOYSA-N
XLogP3.79
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51859533
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
CID 162057250
3-[4-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]phenol
CID 71293978
4-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)cyclohexan-1-ol
CID 15233109
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
(4aS,8aR)-4a-(3-methoxyphenyl)-2-methyl-6-phenyl-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 86754617
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol (CID 71294230) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol is COc1cccc(C2(O)CCC(N3CCN(c4ccccc4F)CC3)CC2)c1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is ULBIPJGTVXLNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-20-6-4-5-18(17-20)23(27)11-9-19(10-12-23)25-13-15-26(16-14-25)22-8-3-2-7-21(22)24/h2-8,17,19,27H,9-16H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol?
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 384.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 71294230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).