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

C16H32N2O — CID 104752803

IUPAC1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CC(O)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)12-17-8-10-18(11-9-17)13-16(19)15-6-4-3-5-7-15/h14-16,19H,3-13H2,1-2H3
InChIKeyLMYKQROTQSIBMJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds5

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

1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (PubChem CID 104752803) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
PubChem CID104752803
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(CC(O)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(2)12-17-8-10-18(11-9-17)13-16(19)15-6-4-3-5-7-15/h14-16,19H,3-13H2,1-2H3
InChIKeyLMYKQROTQSIBMJ-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-pyrrolidin-1-ylethanol
CID 117245548
1-cyclopentyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanol
CID 113449144
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 104752458
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
1-(azepan-4-yl)-2-(4-methylpiperazin-1-yl)ethanol
CID 115006999
1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 104752981
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 104753013
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (CID 104752803) is 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is CC(C)CN1CCN(CC(O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The InChIKey is LMYKQROTQSIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)12-17-8-10-18(11-9-17)13-16(19)15-6-4-3-5-7-15/h14-16,19H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 104752803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).