N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine

C13H26N2O — CID 56714901

IUPACN-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine
SMILESCCN(CC1CCOCC1)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-2-15(13-4-3-7-14-10-13)11-12-5-8-16-9-6-12/h12-14H,2-11H2,1H3
InChIKeyXZTZYCWJCCPVGZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine

N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine (PubChem CID 56714901) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine
PubChem CID56714901
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine
SMILESCCN(CC1CCOCC1)C1CCCNC1
InChIInChI=1S/C13H26N2O/c1-2-15(13-4-3-7-14-10-13)11-12-5-8-16-9-6-12/h12-14H,2-11H2,1H3
InChIKeyXZTZYCWJCCPVGZ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine (CID 56714901) is N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine is CCN(CC1CCOCC1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine?
The InChIKey is XZTZYCWJCCPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15(13-4-3-7-14-10-13)11-12-5-8-16-9-6-12/h12-14H,2-11H2,1H3.
What are the key properties of N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine?
N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 56714901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).