1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile

C10H19N3 — CID 22893169

IUPAC1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
SMILESCC(C)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-9(2)12-10(8-11)4-6-13(3)7-5-10/h9,12H,4-7H2,1-3H3
InChIKeyFLAIEHLDAWRHFF-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile

1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile (PubChem CID 22893169) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
PubChem CID22893169
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
SMILESCC(C)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H19N3/c1-9(2)12-10(8-11)4-6-13(3)7-5-10/h9,12H,4-7H2,1-3H3
InChIKeyFLAIEHLDAWRHFF-UHFFFAOYSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(propan-2-ylamino)piperidine-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 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile (CID 22893169) is 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile is CC(C)NC1(C#N)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile?
The InChIKey is FLAIEHLDAWRHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)12-10(8-11)4-6-13(3)7-5-10/h9,12H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile?
1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-ylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 22893169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).