[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine

C13H24N2O — CID 116874838

IUPAC[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCN1CCC(C2(C3(CN)CC3)COC2)CC1
InChIInChI=1S/C13H24N2O/c1-15-6-2-11(3-7-15)13(9-16-10-13)12(8-14)4-5-12/h11H,2-10,14H2,1H3
InChIKeyNKCGLZVHTVMZNI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.08
Rot. Bonds3

About [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine

[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine (PubChem CID 116874838) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
PubChem CID116874838
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
SMILESCN1CCC(C2(C3(CN)CC3)COC2)CC1
InChIInChI=1S/C13H24N2O/c1-15-6-2-11(3-7-15)13(9-16-10-13)12(8-14)4-5-12/h11H,2-10,14H2,1H3
InChIKeyNKCGLZVHTVMZNI-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine 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-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine (CID 116874838) is [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine is CN1CCC(C2(C3(CN)CC3)COC2)CC1.
What is the InChIKey of [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine?
The InChIKey is NKCGLZVHTVMZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15-6-2-11(3-7-15)13(9-16-10-13)12(8-14)4-5-12/h11H,2-10,14H2,1H3.
What are the key properties of [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine?
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116874838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).