3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine

C13H26N2O — CID 120774849

IUPAC3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(CC2CCOCC2)CCC1N
InChIInChI=1S/C13H26N2O/c1-13(2)10-15(6-3-12(13)14)9-11-4-7-16-8-5-11/h11-12H,3-10,14H2,1-2H3
InChIKeyOALVQOBKJWZXIC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds2

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

3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine (PubChem CID 120774849) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
PubChem CID120774849
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(CC2CCOCC2)CCC1N
InChIInChI=1S/C13H26N2O/c1-13(2)10-15(6-3-12(13)14)9-11-4-7-16-8-5-11/h11-12H,3-10,14H2,1-2H3
InChIKeyOALVQOBKJWZXIC-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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine (CID 120774849) is 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine is CC1(C)CN(CC2CCOCC2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine?
The InChIKey is OALVQOBKJWZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)10-15(6-3-12(13)14)9-11-4-7-16-8-5-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine?
3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-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 3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120774849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).