ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C13H26N2O2 — CID 143432502

IUPACethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2.C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;1-2/h11H,2-9H2,1H3;1-2H3
InChIKeyCIBDQABCGDLKMP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.36
Rot. Bonds2

About ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 143432502) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID143432502
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2.C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;1-2/h11H,2-9H2,1H3;1-2H3
InChIKeyCIBDQABCGDLKMP-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 143432502) is ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CIBDQABCGDLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;1-2/h11H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143432502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).