1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol

C16H32N2O — CID 64776099

IUPAC1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCC1CCC(N2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)18-11-9-17(10-12-18)13-16(2,3)19/h14-15,19H,4-13H2,1-3H3
InChIKeyIWJTTWPUHDFTCQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.34
Rot. Bonds4

About 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol

1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 64776099) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID64776099
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
SMILESCCC1CCC(N2CCN(CC(C)(C)O)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)18-11-9-17(10-12-18)13-16(2,3)19/h14-15,19H,4-13H2,1-3H3
InChIKeyIWJTTWPUHDFTCQ-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

(3R,4R)-1-(cyclohexylmethyl)-4-methyl-3-(1-pyrrolidinyl)hexahydro-4-pyridinol
CID 87053309
1-(Cyclohexylmethyl)-4-methyl-3-pyrrolidin-1-ylpiperidin-4-ol
CID 156602379
4-[4-[(Dimethylamino)methyl]cyclohexyl]-1-methylpiperazin-2-ol
CID 163437977
(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol
CID 170569285
(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol
CID 170569308
1-(4-Cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol
CID 170569392
(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;propan-2-ol
CID 170569543
2-methyl-1-[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]propan-2-ol
CID 176796765
[(2S)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol
CID 176796914
2-methyl-1-[(2R)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]propan-2-ol
CID 176796945
[(2R)-4-(3-methylbutyl)-1-(4-propan-2-ylcyclohexyl)piperazin-2-yl]methanol
CID 176796964
2-[4-(4-Methylcyclohexyl)-1-piperazinyl]ethanol
CID 23910353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol (CID 64776099) is 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol is CCC1CCC(N2CCN(CC(C)(C)O)CC2)CC1.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is IWJTTWPUHDFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-14-5-7-15(8-6-14)18-11-9-17(10-12-18)13-16(2,3)19/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 64776099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).