2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol

C21H32N2O — CID 29086670

IUPAC2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(C/C=C/c2ccccc2)CCN1C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-17-13-21-18-22(14-7-10-19-8-3-1-4-9-19)15-16-23(21)20-11-5-2-6-12-20/h1,3-4,7-10,20-21,24H,2,5-6,11-18H2/b10-7+/t21-/m1/s1
InChIKeyGOURNWIJPYCATO-TYOLEZHBSA-N
MW328.50 g/mol
LogP3.40
Rot. Bonds6

About 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol

2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol (PubChem CID 29086670) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
PubChem CID29086670
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(C/C=C/c2ccccc2)CCN1C1CCCCC1
InChIInChI=1S/C21H32N2O/c24-17-13-21-18-22(14-7-10-19-8-3-1-4-9-19)15-16-23(21)20-11-5-2-6-12-20/h1,3-4,7-10,20-21,24H,2,5-6,11-18H2/b10-7+/t21-/m1/s1
InChIKeyGOURNWIJPYCATO-TYOLEZHBSA-N
XLogP3.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 45229056
2-[(2S)-1-(2-methylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29029378
2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 28734796
2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 45183462
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
2-[(2R)-1-(cyclohexylmethyl)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazin-2-yl]ethanol
CID 51634282
2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 29215594
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 28733174
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
2-[1-cyclopentyl-4-[[2-(difluoromethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45240114
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol (CID 29086670) is 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(C/C=C/c2ccccc2)CCN1C1CCCCC1.
What is the InChIKey of 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is GOURNWIJPYCATO-TYOLEZHBSA-N. The full InChI is InChI=1S/C21H32N2O/c24-17-13-21-18-22(14-7-10-19-8-3-1-4-9-19)15-16-23(21)20-11-5-2-6-12-20/h1,3-4,7-10,20-21,24H,2,5-6,11-18H2/b10-7+/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol?
2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 328.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29086670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).