3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

C16H29N3 — CID 79625508

IUPAC3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C)CC2C)C1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17)8-5-6-15(11-16)19-9-7-13(2)10-14(19)3/h13-15,18H,4-11H2,1-3H3
InChIKeyNCJWOOPCYKZATA-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds3

About 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79625508) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79625508
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C)CC2C)C1
InChIInChI=1S/C16H29N3/c1-4-18-16(12-17)8-5-6-15(11-16)19-9-7-13(2)10-14(19)3/h13-15,18H,4-11H2,1-3H3
InChIKeyNCJWOOPCYKZATA-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
CID 79625720
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
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
1-(ethylamino)-3-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 83221342
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79625136
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 115561389
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79625508) is 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCC(C)CC2C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is NCJWOOPCYKZATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-18-16(12-17)8-5-6-15(11-16)19-9-7-13(2)10-14(19)3/h13-15,18H,4-11H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).