2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol

C17H33NO — CID 63470965

IUPAC2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-5-13-6-7-16(19)15(12-13)18-10-8-14(9-11-18)17(2,3)4/h13-16,19H,5-12H2,1-4H3
InChIKeyFPEMFDAZPHBJIA-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol

2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol (PubChem CID 63470965) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
PubChem CID63470965
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-5-13-6-7-16(19)15(12-13)18-10-8-14(9-11-18)17(2,3)4/h13-16,19H,5-12H2,1-4H3
InChIKeyFPEMFDAZPHBJIA-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
CID 55116782
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
CID 63165668
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
CID 103537746
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
4-(2-methylbutan-2-yl)-2-(4-propylpiperidin-1-yl)cyclohexan-1-ol
CID 63472120
4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
CID 63622112
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 63468858
4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 83221424
4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 114271796
trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
CID 102734787

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol (CID 63470965) is 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol?
The InChIKey is FPEMFDAZPHBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-13-6-7-16(19)15(12-13)18-10-8-14(9-11-18)17(2,3)4/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol?
2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63470965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).