1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol

C20H31FN2O — CID 111565154

IUPAC1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H31FN2O/c1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)14-20(24)19-8-5-17(21)13-16(19)2/h5,8,13,15,18,20,24H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyYZESADKPUFBDTK-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.36
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol

1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol (PubChem CID 111565154) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
PubChem CID111565154
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H31FN2O/c1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)14-20(24)19-8-5-17(21)13-16(19)2/h5,8,13,15,18,20,24H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyYZESADKPUFBDTK-UHFFFAOYSA-N
XLogP3.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111565070
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 56771247
1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
CID 167950146
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol (CID 111565154) is 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol is Cc1cc(F)ccc1C(O)CN1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The InChIKey is YZESADKPUFBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-15-3-6-18(7-4-15)23-11-9-22(10-12-23)14-20(24)19-8-5-17(21)13-16(19)2/h5,8,13,15,18,20,24H,3-4,6-7,9-12,14H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol has a molecular weight of 334.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111565154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).