3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile

C15H27N3O — CID 102966154

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H27N3O/c1-12-6-8-18(10-14(12)19-3)13-5-4-7-15(9-13,11-16)17-2/h12-14,17H,4-10H2,1-3H3
InChIKeyBLZLQFJXIRNIOQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds3

About 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile

3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 102966154) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID102966154
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H27N3O/c1-12-6-8-18(10-14(12)19-3)13-5-4-7-15(9-13,11-16)17-2/h12-14,17H,4-10H2,1-3H3
InChIKeyBLZLQFJXIRNIOQ-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625138
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625800
1-(methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625510
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(methylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carbonitrile
CID 79625593
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639086
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626551
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
[1-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanol
CID 102968918

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile (CID 102966154) is 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(N2CCC(C)C(OC)C2)C1.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is BLZLQFJXIRNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-6-8-18(10-14(12)19-3)13-5-4-7-15(9-13,11-16)17-2/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile?
3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 265.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 102966154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).