2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol

C19H29FN2O — CID 45233166

IUPAC2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCCCC2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c20-17-8-6-16(7-9-17)14-21-11-12-22(15-19(21)10-13-23)18-4-2-1-3-5-18/h6-9,18-19,23H,1-5,10-15H2
InChIKeySHGPNRRTUNCQBF-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol

2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45233166) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45233166
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(C2CCCCC2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c20-17-8-6-16(7-9-17)14-21-11-12-22(15-19(21)10-13-23)18-4-2-1-3-5-18/h6-9,18-19,23H,1-5,10-15H2
InChIKeySHGPNRRTUNCQBF-UHFFFAOYSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210114
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622986
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[(2S)-1-[(4-methylphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 92666914
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[(3S)-2-[(3,4-dichlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]ethanol
CID 110211466
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
CID 28849794
2-[(2R)-4-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98580104
2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28953278
2-[1-[(4-fluorophenyl)methyl]-4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45185727
2-chloro-4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45182941

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 45233166) is 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CN(C2CCCCC2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is SHGPNRRTUNCQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c20-17-8-6-16(7-9-17)14-21-11-12-22(15-19(21)10-13-23)18-4-2-1-3-5-18/h6-9,18-19,23H,1-5,10-15H2.
What are the key properties of 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 320.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45233166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).