1-(oxan-4-ylmethyl)piperidin-4-amine

C11H22N2O — CID 53256375

IUPAC1-(oxan-4-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c12-11-1-5-13(6-2-11)9-10-3-7-14-8-4-10/h10-11H,1-9,12H2
InChIKeyWPRDDJXDDYCXFJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds2

About 1-(oxan-4-ylmethyl)piperidin-4-amine

1-(oxan-4-ylmethyl)piperidin-4-amine (PubChem CID 53256375) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)piperidin-4-amine
PubChem CID53256375
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(oxan-4-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c12-11-1-5-13(6-2-11)9-10-3-7-14-8-4-10/h10-11H,1-9,12H2
InChIKeyWPRDDJXDDYCXFJ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)piperidin-4-amine (CID 53256375) is 1-(oxan-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)piperidin-4-amine is NC1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)piperidin-4-amine?
The InChIKey is WPRDDJXDDYCXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-11-1-5-13(6-2-11)9-10-3-7-14-8-4-10/h10-11H,1-9,12H2.
What are the key properties of 1-(oxan-4-ylmethyl)piperidin-4-amine?
1-(oxan-4-ylmethyl)piperidin-4-amine 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-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 53256375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).