2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol

C22H33FN2O — CID 51634282

IUPAC2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCN1CC1CCCCC1
InChIInChI=1S/C22H33FN2O/c23-21-10-8-19(9-11-21)7-4-13-24-14-15-25(22(18-24)12-16-26)17-20-5-2-1-3-6-20/h4,7-11,20,22,26H,1-3,5-6,12-18H2/b7-4+/t22-/m1/s1
InChIKeyPINSUWQOKRITLS-ZMTJCJBESA-N
MW360.52 g/mol
LogP3.79
Rot. Bonds7

About 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol

2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol (PubChem CID 51634282) has the molecular formula C22H33FN2O and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
PubChem CID51634282
Molecular FormulaC22H33FN2O
Molecular Weight360.52 g/mol
Exact Mass360.26
IUPAC Name2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCN1CC1CCCCC1
InChIInChI=1S/C22H33FN2O/c23-21-10-8-19(9-11-21)7-4-13-24-14-15-25(22(18-24)12-16-26)17-20-5-2-1-3-6-20/h4,7-11,20,22,26H,1-3,5-6,12-18H2/b7-4+/t22-/m1/s1
InChIKeyPINSUWQOKRITLS-ZMTJCJBESA-N
XLogP3.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-ethoxyphenyl)methyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 45171309
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2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
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2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
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1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
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CID 29029378
2-[4-(cyclohexylmethyl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45242147
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol (CID 51634282) is 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is PINSUWQOKRITLS-ZMTJCJBESA-N. The full InChI is InChI=1S/C22H33FN2O/c23-21-10-8-19(9-11-21)7-4-13-24-14-15-25(22(18-24)12-16-26)17-20-5-2-1-3-6-20/h4,7-11,20,22,26H,1-3,5-6,12-18H2/b7-4+/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 360.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51634282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).