2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol

C18H34N2O — CID 28734796

IUPAC2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCC(C)/C=C/CN1CCN(C2CCCCC2)[C@@H](CCO)C1
InChIInChI=1S/C18H34N2O/c1-16(2)7-6-11-19-12-13-20(18(15-19)10-14-21)17-8-4-3-5-9-17/h6-7,16-18,21H,3-5,8-15H2,1-2H3/b7-6+/t18-/m0/s1
InChIKeyIWYUHDKQUSGBIA-DKFQHHCZSA-N
MW294.48 g/mol
LogP2.90
Rot. Bonds6

About 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol

2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (PubChem CID 28734796) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
PubChem CID28734796
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCC(C)/C=C/CN1CCN(C2CCCCC2)[C@@H](CCO)C1
InChIInChI=1S/C18H34N2O/c1-16(2)7-6-11-19-12-13-20(18(15-19)10-14-21)17-8-4-3-5-9-17/h6-7,16-18,21H,3-5,8-15H2,1-2H3/b7-6+/t18-/m0/s1
InChIKeyIWYUHDKQUSGBIA-DKFQHHCZSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 45183462
2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29086670
2-[1-cyclopentyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 45229056
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 28733174
2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
CID 28849794
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 98649182
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
2-[4-(3-cyclopentylpropyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45189829
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45187220

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (CID 28734796) is 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is CC(C)/C=C/CN1CCN(C2CCCCC2)[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is IWYUHDKQUSGBIA-DKFQHHCZSA-N. The full InChI is InChI=1S/C18H34N2O/c1-16(2)7-6-11-19-12-13-20(18(15-19)10-14-21)17-8-4-3-5-9-17/h6-7,16-18,21H,3-5,8-15H2,1-2H3/b7-6+/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol has a molecular weight of 294.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 28734796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).