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

C13H26N2O2 — CID 54908032

IUPAC1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-5-14-12-3-6-15(7-4-12)10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3
InChIKeyIEAOLAWFGUSPTQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds5

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

1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine (PubChem CID 54908032) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine
PubChem CID54908032
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2COCCO2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-5-14-12-3-6-15(7-4-12)10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3
InChIKeyIEAOLAWFGUSPTQ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine (CID 54908032) is 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC2COCCO2)CC1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine?
The InChIKey is IEAOLAWFGUSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-5-14-12-3-6-15(7-4-12)10-13-11-16-8-9-17-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine?
1-(1,4-dioxan-2-ylmethyl)-N-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 1-(1,4-dioxan-2-ylmethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 54908032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).