2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile

C17H31N3 — CID 43585983

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C17H31N3/c1-4-5-14-6-7-15(13-18)17(12-14)20-10-8-16(9-11-20)19(2)3/h14-17H,4-12H2,1-3H3
InChIKeyWNXIJKMFGKPBLF-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile

2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 43585983) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
PubChem CID43585983
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C17H31N3/c1-4-5-14-6-7-15(13-18)17(12-14)20-10-8-16(9-11-20)19(2)3/h14-17H,4-12H2,1-3H3
InChIKeyWNXIJKMFGKPBLF-UHFFFAOYSA-N
XLogP3.12
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-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-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 63514177
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 107454997
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
1-(2-cyano-5-propylcyclohexyl)-1,2,4-triazole-3-carbonitrile
CID 62951228
2-(8-azaspiro[4.5]decan-8-yl)-4-ethylcyclohexane-1-carbonitrile
CID 63160347

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile (CID 43585983) is 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCC(N(C)C)CC2)C1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WNXIJKMFGKPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-5-14-6-7-15(13-18)17(12-14)20-10-8-16(9-11-20)19(2)3/h14-17H,4-12H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile?
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43585983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).