4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile

C11H21N3 — CID 550733

IUPAC4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile
SMILESCC1CC(C#N)(N(C)C)C(C)CN1C
InChIInChI=1S/C11H21N3/c1-9-7-14(5)10(2)6-11(9,8-12)13(3)4/h9-10H,6-7H2,1-5H3
InChIKeyJYYVVRRQNYVXAR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.17
Rot. Bonds1

About 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile

4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile (PubChem CID 550733) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile
PubChem CID550733
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile
SMILESCC1CC(C#N)(N(C)C)C(C)CN1C
InChIInChI=1S/C11H21N3/c1-9-7-14(5)10(2)6-11(9,8-12)13(3)4/h9-10H,6-7H2,1-5H3
InChIKeyJYYVVRRQNYVXAR-UHFFFAOYSA-N
XLogP1.17
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethylpiperidine-2-carbonitrile
CID 68496862
2-(1-Methylpiperidin-4-yl)propanedinitrile
CID 58855
2-Fluoro-1-(4-methylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 168181131
3-(4-Fluoro-1-methylpiperidin-4-yl)-2-methylbutanenitrile
CID 173699200
3-Ethyl-1-methylpiperidine-2-carbonitrile
CID 12581464
4-Cyano-4-dimethylamino-1,3-dimethyl-piperidine
CID 129870634
1,2,6-Trimethylpiperidine-2-carbonitrile
CID 162414463
3-Ethyl-2-(1-piperidinyl)cyclobutanecarbonitrile
CID 5216821
4-Amino-4-cyano-1,2.5-trimethylpiperidine
CID 550710
1-(tert-Butyl)-2-cyano-3-methyl-piperidine
CID 596551
1-(tert-Butyl)-2-cyano-3,3-dimethylpiperidine
CID 601512
3,3-Dimethyl-1-propan-2-ylpiperidine-2-carbonitrile
CID 14356853

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile (CID 550733) is 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile is CC1CC(C#N)(N(C)C)C(C)CN1C.
What is the InChIKey of 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile?
The InChIKey is JYYVVRRQNYVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-7-14(5)10(2)6-11(9,8-12)13(3)4/h9-10H,6-7H2,1-5H3.
What are the key properties of 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile?
4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile has a molecular weight of 195.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,2,5-trimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 550733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).