1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine

C11H22N2O — CID 176675930

IUPAC1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)CCC1NCC1COC1
InChIInChI=1S/C11H22N2O/c1-9-6-13(2)4-3-11(9)12-5-10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyZVBZWSVYCLQRCC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds3

About 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine

1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine (PubChem CID 176675930) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
PubChem CID176675930
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)CCC1NCC1COC1
InChIInChI=1S/C11H22N2O/c1-9-6-13(2)4-3-11(9)12-5-10-7-14-8-10/h9-12H,3-8H2,1-2H3
InChIKeyZVBZWSVYCLQRCC-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine (CID 176675930) is 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine is CC1CN(C)CCC1NCC1COC1.
What is the InChIKey of 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The InChIKey is ZVBZWSVYCLQRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-13(2)4-3-11(9)12-5-10-7-14-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 176675930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).