6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile

C15H29N3O — CID 107394621

IUPAC6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
SMILESCNC(C)(C#N)CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C15H29N3O/c1-14(12-16,17-3)8-5-6-10-18-11-7-9-15(2,13-18)19-4/h17H,5-11,13H2,1-4H3
InChIKeyNGASZZXSWMRVMM-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds7

About 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile

6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile (PubChem CID 107394621) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile.

Molecular Properties

Compound Name6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
PubChem CID107394621
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile
SMILESCNC(C)(C#N)CCCCN1CCCC(C)(OC)C1
InChIInChI=1S/C15H29N3O/c1-14(12-16,17-3)8-5-6-10-18-11-7-9-15(2,13-18)19-4/h17H,5-11,13H2,1-4H3
InChIKeyNGASZZXSWMRVMM-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 107394776
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 63217429
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63150692
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The IUPAC name of 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile (CID 107394621) is 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile.
What is the SMILES notation for 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The canonical SMILES for 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile is CNC(C)(C#N)CCCCN1CCCC(C)(OC)C1.
What is the InChIKey of 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The InChIKey is NGASZZXSWMRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(12-16,17-3)8-5-6-10-18-11-7-9-15(2,13-18)19-4/h17H,5-11,13H2,1-4H3.
What are the key properties of 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(methylamino)hexanenitrile is sourced from PubChem (CID 107394621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).