N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine

C14H28N2O — CID 55066116

IUPACN-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCOCC1)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-13(16-7-3-2-4-8-16)11-15-12-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3
InChIKeyOWWYPWKIRXWRSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine

N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 55066116) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
PubChem CID55066116
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCOCC1)N1CCCCC1
InChIInChI=1S/C14H28N2O/c1-13(16-7-3-2-4-8-16)11-15-12-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3
InChIKeyOWWYPWKIRXWRSX-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine (CID 55066116) is N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine is CC(CNCC1CCOCC1)N1CCCCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is OWWYPWKIRXWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(16-7-3-2-4-8-16)11-15-12-14-5-9-17-10-6-14/h13-15H,2-12H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine?
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 55066116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).