2-propan-2-ylpiperidine-2-carbonitrile

C9H16N2 — CID 84649702

IUPAC2-propan-2-ylpiperidine-2-carbonitrile
SMILESCC(C)C1(C#N)CCCCN1
InChIInChI=1S/C9H16N2/c1-8(2)9(7-10)5-3-4-6-11-9/h8,11H,3-6H2,1-2H3
InChIKeyGDKOVDUTTGXMIJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds1

About 2-propan-2-ylpiperidine-2-carbonitrile

2-propan-2-ylpiperidine-2-carbonitrile (PubChem CID 84649702) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-propan-2-ylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name2-propan-2-ylpiperidine-2-carbonitrile
PubChem CID84649702
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-propan-2-ylpiperidine-2-carbonitrile
SMILESCC(C)C1(C#N)CCCCN1
InChIInChI=1S/C9H16N2/c1-8(2)9(7-10)5-3-4-6-11-9/h8,11H,3-6H2,1-2H3
InChIKeyGDKOVDUTTGXMIJ-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-ylpiperidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylpentan-2-yl)pyrrolidine-2-carbonitrile
CID 131115462
2-(3-methylbutyl)piperidine-2-carbonitrile
CID 130542472
1-propan-2-ylcyclopentane-1-carbonitrile
CID 58070341
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
2-(2-methylpropyl)-2-propan-2-ylazepane
CID 79119427
2-but-2-ynyl-2-propan-2-ylazepane
CID 79117232
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
2-(2-fluoroethyl)piperidine-2-carbonitrile
CID 126980040
4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 61244098
2-(3-hydroxyazetidin-3-yl)piperidine-2-carbonitrile
CID 142577150
3,3-di(propan-2-yl)azepane
CID 58609824

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpiperidine-2-carbonitrile?
The IUPAC name of 2-propan-2-ylpiperidine-2-carbonitrile (CID 84649702) is 2-propan-2-ylpiperidine-2-carbonitrile.
What is the SMILES notation for 2-propan-2-ylpiperidine-2-carbonitrile?
The canonical SMILES for 2-propan-2-ylpiperidine-2-carbonitrile is CC(C)C1(C#N)CCCCN1.
What is the InChIKey of 2-propan-2-ylpiperidine-2-carbonitrile?
The InChIKey is GDKOVDUTTGXMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)9(7-10)5-3-4-6-11-9/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylpiperidine-2-carbonitrile?
2-propan-2-ylpiperidine-2-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpiperidine-2-carbonitrile is sourced from PubChem (CID 84649702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).