3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile

C12H21N3O — CID 115247942

IUPAC3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(N(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C12H21N3O/c1-14-5-3-11(4-6-14)15(2)8-12(7-13)9-16-10-12/h11H,3-6,8-10H2,1-2H3
InChIKeyVPFJUHOHKJRIDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.55
Rot. Bonds3

About 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile

3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247942) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247942
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile
SMILESCN1CCC(N(C)CC2(C#N)COC2)CC1
InChIInChI=1S/C12H21N3O/c1-14-5-3-11(4-6-14)15(2)8-12(7-13)9-16-10-12/h11H,3-6,8-10H2,1-2H3
InChIKeyVPFJUHOHKJRIDA-UHFFFAOYSA-N
XLogP0.55
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-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 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile (CID 115247942) is 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile is CN1CCC(N(C)CC2(C#N)COC2)CC1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is VPFJUHOHKJRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-5-3-11(4-6-14)15(2)8-12(7-13)9-16-10-12/h11H,3-6,8-10H2,1-2H3.
What are the key properties of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile?
3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).