4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine

C13H26N2O2 — CID 66474133

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCC2OCCCO2)CCN1C
InChIInChI=1S/C13H26N2O2/c1-3-12-11-15(8-7-14(12)2)6-5-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3
InChIKeyQNXLUCUPHNRPPI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine

4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine (PubChem CID 66474133) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
PubChem CID66474133
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
SMILESCCC1CN(CCC2OCCCO2)CCN1C
InChIInChI=1S/C13H26N2O2/c1-3-12-11-15(8-7-14(12)2)6-5-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3
InChIKeyQNXLUCUPHNRPPI-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 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine (CID 66474133) is 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine is CCC1CN(CCC2OCCCO2)CCN1C.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine?
The InChIKey is QNXLUCUPHNRPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12-11-15(8-7-14(12)2)6-5-13-16-9-4-10-17-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine?
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine 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 4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine is sourced from PubChem (CID 66474133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).