[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine

C12H24N2O — CID 62391989

IUPAC[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C12H24N2O/c13-10-12(4-8-15-9-5-12)11-14-6-2-1-3-7-14/h1-11,13H2
InChIKeySOMOXOWVVSFFHD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.23
Rot. Bonds3

About [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine

[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine (PubChem CID 62391989) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine
PubChem CID62391989
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CN2CCCCC2)CCOCC1
InChIInChI=1S/C12H24N2O/c13-10-12(4-8-15-9-5-12)11-14-6-2-1-3-7-14/h1-11,13H2
InChIKeySOMOXOWVVSFFHD-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(piperidin-1-ylmethyl)oxan-4-yl]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 [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine (CID 62391989) is [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine is NCC1(CN2CCCCC2)CCOCC1.
What is the InChIKey of [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine?
The InChIKey is SOMOXOWVVSFFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-12(4-8-15-9-5-12)11-14-6-2-1-3-7-14/h1-11,13H2.
What are the key properties of [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine?
[4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-1-ylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62391989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).