4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile

C13H25N3 — CID 22972934

IUPAC4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC(C)(C)C)CC1(C)C
InChIInChI=1S/C13H25N3/c1-11(2,3)15-13(10-14)7-8-16(6)12(4,5)9-13/h15H,7-9H2,1-6H3
InChIKeyLDTZCGYHGXYTAG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds1

About 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile

4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile (PubChem CID 22972934) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile
PubChem CID22972934
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(NC(C)(C)C)CC1(C)C
InChIInChI=1S/C13H25N3/c1-11(2,3)15-13(10-14)7-8-16(6)12(4,5)9-13/h15H,7-9H2,1-6H3
InChIKeyLDTZCGYHGXYTAG-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile?
The IUPAC name of 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile (CID 22972934) is 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile is CN1CCC(C#N)(NC(C)(C)C)CC1(C)C.
What is the InChIKey of 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile?
The InChIKey is LDTZCGYHGXYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2,3)15-13(10-14)7-8-16(6)12(4,5)9-13/h15H,7-9H2,1-6H3.
What are the key properties of 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile?
4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1,2,2-trimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 22972934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).