2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile

C9H16N2O — CID 107392603

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
SMILESCOC1(C)CCCN(CC#N)C1
InChIInChI=1S/C9H16N2O/c1-9(12-2)4-3-6-11(8-9)7-5-10/h3-4,6-8H2,1-2H3
InChIKeyLAGYDSACUONVEZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile

2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile (PubChem CID 107392603) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
PubChem CID107392603
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
SMILESCOC1(C)CCCN(CC#N)C1
InChIInChI=1S/C9H16N2O/c1-9(12-2)4-3-6-11(8-9)7-5-10/h3-4,6-8H2,1-2H3
InChIKeyLAGYDSACUONVEZ-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
3-methoxy-3-methyl-1-pent-4-ynylpiperidine
CID 107394439
2-(ethylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanenitrile
CID 107394626
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613
2-methoxy-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 107392633
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile (CID 107392603) is 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile is COC1(C)CCCN(CC#N)C1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile?
The InChIKey is LAGYDSACUONVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(12-2)4-3-6-11(8-9)7-5-10/h3-4,6-8H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile?
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 107392603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).