N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine

C13H26N2O2 — CID 54907155

IUPACN-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-5-15-6-3-12(4-7-15)14-10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3
InChIKeyXCMGAQVVSSNPMW-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine (PubChem CID 54907155) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine
PubChem CID54907155
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-5-15-6-3-12(4-7-15)14-10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3
InChIKeyXCMGAQVVSSNPMW-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine (CID 54907155) is N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine is CCCN1CCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine?
The InChIKey is XCMGAQVVSSNPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-5-15-6-3-12(4-7-15)14-10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 54907155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).