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

C18H34N2O — CID 45183462

IUPAC2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCC(C)/C=C/CN1CCN(C2CCCCC2)C(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+
InChIKeyIWYUHDKQUSGBIA-VOTSOKGWSA-N
MW294.48 g/mol
LogP2.90
Rot. Bonds6

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

2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (PubChem CID 45183462) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
PubChem CID45183462
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
SMILESCC(C)/C=C/CN1CCN(C2CCCCC2)C(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+
InChIKeyIWYUHDKQUSGBIA-VOTSOKGWSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol (CID 45183462) is 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is CC(C)/C=C/CN1CCN(C2CCCCC2)C(CCO)C1.
What is the InChIKey of 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
The InChIKey is IWYUHDKQUSGBIA-VOTSOKGWSA-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+.
What are the key properties of 2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol?
2-[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-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45183462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).