1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine

C13H26N2O2 — CID 66473733

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CCC2OCCCO2)C1
InChIInChI=1S/C13H26N2O2/c1-14(2)12-5-3-7-15(11-12)8-6-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3
InChIKeyFHHUFPSJBSZUGN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine

1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 66473733) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
PubChem CID66473733
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(CCC2OCCCO2)C1
InChIInChI=1S/C13H26N2O2/c1-14(2)12-5-3-7-15(11-12)8-6-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3
InChIKeyFHHUFPSJBSZUGN-UHFFFAOYSA-N
XLogP1.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine (CID 66473733) is 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(CCC2OCCCO2)C1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is FHHUFPSJBSZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14(2)12-5-3-7-15(11-12)8-6-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine?
1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 242.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 66473733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).