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

C11H22N2O — CID 53256416

IUPAC[1-(oxan-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c12-9-10-1-5-13(6-2-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2
InChIKeyCNAWWTRDALPJDO-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds2

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

[1-(oxan-4-yl)piperidin-4-yl]methanamine (PubChem CID 53256416) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-4-yl]methanamine
PubChem CID53256416
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(oxan-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c12-9-10-1-5-13(6-2-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2
InChIKeyCNAWWTRDALPJDO-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(oxan-4-yl)piperidin-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 [1-(oxan-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]methanamine (CID 53256416) is [1-(oxan-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(oxan-4-yl)piperidin-4-yl]methanamine is NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-4-yl]methanamine?
The InChIKey is CNAWWTRDALPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-9-10-1-5-13(6-2-10)11-3-7-14-8-4-11/h10-11H,1-9,12H2.
What are the key properties of [1-(oxan-4-yl)piperidin-4-yl]methanamine?
[1-(oxan-4-yl)piperidin-4-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 53256416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).