4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile

C17H31N3O — CID 63091654

IUPAC4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C17H31N3O/c1-4-14-5-6-15(12-18)16(11-14)20-9-7-19(8-10-20)13-17(2,3)21/h14-16,21H,4-11,13H2,1-3H3
InChIKeyMQBCYKGXMVGUFS-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.09
Rot. Bonds4

About 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 63091654) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
PubChem CID63091654
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCN(CC(C)(C)O)CC2)C1
InChIInChI=1S/C17H31N3O/c1-4-14-5-6-15(12-18)16(11-14)20-9-7-19(8-10-20)13-17(2,3)21/h14-16,21H,4-11,13H2,1-3H3
InChIKeyMQBCYKGXMVGUFS-UHFFFAOYSA-N
XLogP2.09
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
1-[4-(4-ethylcyclohexyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64776099
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347
4-ethyl-2-(4-hydroxy-4-methylazepan-1-yl)cyclohexane-1-carbonitrile
CID 107404565
4-tert-butyl-2-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 43291751
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63150575
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
CID 63362313
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile (CID 63091654) is 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCN(CC(C)(C)O)CC2)C1.
What is the InChIKey of 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is MQBCYKGXMVGUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-14-5-6-15(12-18)16(11-14)20-9-7-19(8-10-20)13-17(2,3)21/h14-16,21H,4-11,13H2,1-3H3.
What are the key properties of 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 293.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63091654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).