3,3-dimethyl-4-piperidin-1-ylbutanenitrile

C11H20N2 — CID 131142841

IUPAC3,3-dimethyl-4-piperidin-1-ylbutanenitrile
SMILESCC(C)(CC#N)CN1CCCCC1
InChIInChI=1S/C11H20N2/c1-11(2,6-7-12)10-13-8-4-3-5-9-13/h3-6,8-10H2,1-2H3
InChIKeyHYEIBLSUSNJSGU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds3

About 3,3-dimethyl-4-piperidin-1-ylbutanenitrile

3,3-dimethyl-4-piperidin-1-ylbutanenitrile (PubChem CID 131142841) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name3,3-dimethyl-4-piperidin-1-ylbutanenitrile
PubChem CID131142841
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3,3-dimethyl-4-piperidin-1-ylbutanenitrile
SMILESCC(C)(CC#N)CN1CCCCC1
InChIInChI=1S/C11H20N2/c1-11(2,6-7-12)10-13-8-4-3-5-9-13/h3-6,8-10H2,1-2H3
InChIKeyHYEIBLSUSNJSGU-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(2,2,4-trimethylpentyl)piperidine
CID 169190328
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
2-(azonan-1-yl)acetonitrile
CID 127001300
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperidine
CID 154467917
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)pyrrole
CID 130655641
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 3,3-dimethyl-4-piperidin-1-ylbutanenitrile (CID 131142841) is 3,3-dimethyl-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 3,3-dimethyl-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 3,3-dimethyl-4-piperidin-1-ylbutanenitrile is CC(C)(CC#N)CN1CCCCC1.
What is the InChIKey of 3,3-dimethyl-4-piperidin-1-ylbutanenitrile?
The InChIKey is HYEIBLSUSNJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2,6-7-12)10-13-8-4-3-5-9-13/h3-6,8-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-piperidin-1-ylbutanenitrile?
3,3-dimethyl-4-piperidin-1-ylbutanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 131142841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).