N-(oxan-4-yl)-1-propylpiperidin-4-amine

C13H26N2O — CID 43608570

IUPACN-(oxan-4-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3
InChIKeyNJASMUKSXIOMRS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About N-(oxan-4-yl)-1-propylpiperidin-4-amine

N-(oxan-4-yl)-1-propylpiperidin-4-amine (PubChem CID 43608570) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-propylpiperidin-4-amine
PubChem CID43608570
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(oxan-4-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3
InChIKeyNJASMUKSXIOMRS-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(oxan-4-yl)-1-propylpiperidin-4-amine (CID 43608570) is N-(oxan-4-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-yl)-1-propylpiperidin-4-amine?
The InChIKey is NJASMUKSXIOMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-7-15-8-3-12(4-9-15)14-13-5-10-16-11-6-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(oxan-4-yl)-1-propylpiperidin-4-amine?
N-(oxan-4-yl)-1-propylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 43608570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).