2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile

C12H23N3 — CID 65250985

IUPAC2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
SMILESCNC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C12H23N3/c1-12(2,10-13)6-8-15-7-4-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3
InChIKeyIWLFOIAJZVVARJ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds4

About 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile

2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile (PubChem CID 65250985) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
PubChem CID65250985
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
SMILESCNC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C12H23N3/c1-12(2,10-13)6-8-15-7-4-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3
InChIKeyIWLFOIAJZVVARJ-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
CID 120837971
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
1-butyl-N-methylpiperidin-3-amine
CID 62534430
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
2,2-dimethyl-4-(3-methylpiperazin-1-yl)butanenitrile
CID 65449779
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile (CID 65250985) is 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile is CNC1CCCN(CCC(C)(C)C#N)C1.
What is the InChIKey of 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile?
The InChIKey is IWLFOIAJZVVARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,10-13)6-8-15-7-4-5-11(9-15)14-3/h11,14H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile?
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 65250985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).