4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile

C17H30N2O — CID 79130957

IUPAC4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-15-5-7-16(13-18,8-6-15)17(20)9-11-19(12-10-17)14(2)3/h14-15,20H,4-12H2,1-3H3
InChIKeyDLWNXGQRXPHTLQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.33
Rot. Bonds3

About 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile

4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile (PubChem CID 79130957) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
PubChem CID79130957
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-4-15-5-7-16(13-18,8-6-15)17(20)9-11-19(12-10-17)14(2)3/h14-15,20H,4-12H2,1-3H3
InChIKeyDLWNXGQRXPHTLQ-UHFFFAOYSA-N
XLogP3.33
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclopentane-1-carbonitrile
CID 79130506
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
4-ethyl-1-(4-hydroxy-1-propylazepan-4-yl)cyclohexane-1-carbonitrile
CID 79123843
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
4-ethyl-1-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)cyclohexane-1-carbonitrile
CID 81468574
3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
CID 79132877
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79133079
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile (CID 79130957) is 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile?
The InChIKey is DLWNXGQRXPHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-15-5-7-16(13-18,8-6-15)17(20)9-11-19(12-10-17)14(2)3/h14-15,20H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile?
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile has a molecular weight of 278.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79130957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).