3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

C18H33N3 — CID 79628775

IUPAC3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3
InChIKeyPQZVOXQIHUKRFQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.56
Rot. Bonds3

About 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79628775) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79628775
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3
InChIKeyPQZVOXQIHUKRFQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)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

1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
1-(ethylamino)-3-(4-ethylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638583
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-(4,4-dimethylazepan-1-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639514
1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625823
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79628775) is 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is PQZVOXQIHUKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79628775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).