5-methyl-1-(oxan-4-yl)piperidin-3-amine

C11H22N2O — CID 79986267

IUPAC5-methyl-1-(oxan-4-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8,12H2,1H3
InChIKeyKCRJXTBXKLLKTM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds1

About 5-methyl-1-(oxan-4-yl)piperidin-3-amine

5-methyl-1-(oxan-4-yl)piperidin-3-amine (PubChem CID 79986267) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)piperidin-3-amine
PubChem CID79986267
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-methyl-1-(oxan-4-yl)piperidin-3-amine
SMILESCC1CC(N)CN(C2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8,12H2,1H3
InChIKeyKCRJXTBXKLLKTM-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-(oxan-4-yl)piperidin-3-amine (CID 79986267) is 5-methyl-1-(oxan-4-yl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)piperidin-3-amine is CC1CC(N)CN(C2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)piperidin-3-amine?
The InChIKey is KCRJXTBXKLLKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-10(12)8-13(7-9)11-2-4-14-5-3-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 5-methyl-1-(oxan-4-yl)piperidin-3-amine?
5-methyl-1-(oxan-4-yl)piperidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yl)piperidin-3-amine is sourced from PubChem (CID 79986267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).