3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile

C11H18N2O — CID 62332512

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile
SMILESCC1CCN(C(=O)C(C)C#N)C(C)C1
InChIInChI=1S/C11H18N2O/c1-8-4-5-13(10(3)6-8)11(14)9(2)7-12/h8-10H,4-6H2,1-3H3
InChIKeyWSLIMBMNNTXCDM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds1

About 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile

3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile (PubChem CID 62332512) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile
PubChem CID62332512
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile
SMILESCC1CCN(C(=O)C(C)C#N)C(C)C1
InChIInChI=1S/C11H18N2O/c1-8-4-5-13(10(3)6-8)11(14)9(2)7-12/h8-10H,4-6H2,1-3H3
InChIKeyWSLIMBMNNTXCDM-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 62331621
2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 62331604
2-(2,4-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116537076
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
2-methyl-3-oxo-3-(2,3,5-trimethylpiperidin-1-yl)propanenitrile
CID 114593187
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 62331229
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
CID 62329830
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile (CID 62332512) is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile is CC1CCN(C(=O)C(C)C#N)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile?
The InChIKey is WSLIMBMNNTXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-4-5-13(10(3)6-8)11(14)9(2)7-12/h8-10H,4-6H2,1-3H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile?
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile has a molecular weight of 194.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile is sourced from PubChem (CID 62332512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).