3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine

C13H26N2O — CID 103495081

IUPAC3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
SMILESCC(C)C1CCN(C2COCCC2N)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)11-3-6-15(7-4-11)13-9-16-8-5-12(13)14/h10-13H,3-9,14H2,1-2H3
InChIKeyIRIGKKVRMDOJPF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds2

About 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine

3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine (PubChem CID 103495081) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
PubChem CID103495081
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
SMILESCC(C)C1CCN(C2COCCC2N)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)11-3-6-15(7-4-11)13-9-16-8-5-12(13)14/h10-13H,3-9,14H2,1-2H3
InChIKeyIRIGKKVRMDOJPF-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine 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-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine (CID 103495081) is 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine is CC(C)C1CCN(C2COCCC2N)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine?
The InChIKey is IRIGKKVRMDOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11-3-6-15(7-4-11)13-9-16-8-5-12(13)14/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine?
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine is sourced from PubChem (CID 103495081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).