1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile

C15H27N3O — CID 102966224

IUPAC1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCCC(OC)C2)C1
InChIInChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18-9-5-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3
InChIKeyMOTYTPZNKASOFQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.91
Rot. Bonds4

About 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile

1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 102966224) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID102966224
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCCC(OC)C2)C1
InChIInChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18-9-5-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3
InChIKeyMOTYTPZNKASOFQ-UHFFFAOYSA-N
XLogP1.91
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 104960172
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
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 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile (CID 102966224) is 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCCC(OC)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is MOTYTPZNKASOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-17-15(12-16)8-4-6-13(10-15)18-9-5-7-14(11-18)19-2/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile?
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 265.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 102966224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).