3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile

C16H29N3 — CID 79625038

IUPAC3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N2CCCC(C)C2)C1
InChIInChI=1S/C16H29N3/c1-3-9-18-16(13-17)8-4-7-15(11-16)19-10-5-6-14(2)12-19/h14-15,18H,3-12H2,1-2H3
InChIKeyKAGTWLJWWGBCSH-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.92
Rot. Bonds4

About 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile

3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79625038) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79625038
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N2CCCC(C)C2)C1
InChIInChI=1S/C16H29N3/c1-3-9-18-16(13-17)8-4-7-15(11-16)19-10-5-6-14(2)12-19/h14-15,18H,3-12H2,1-2H3
InChIKeyKAGTWLJWWGBCSH-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 114596275
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
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-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626046
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (CID 79625038) is 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(N2CCCC(C)C2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is KAGTWLJWWGBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-9-18-16(13-17)8-4-7-15(11-16)19-10-5-6-14(2)12-19/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79625038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).