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

C15H32N2O2 — CID 143677939

IUPACethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2.2C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;2*1-2/h11H,2-9H2,1H3;2*1-2H3
InChIKeyUDSXWPDCDZBXHF-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.38
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 143677939) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 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 CID143677939
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H20N2O2.2C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;2*1-2/h11H,2-9H2,1H3;2*1-2H3
InChIKeyUDSXWPDCDZBXHF-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.38
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 143677939) 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.CC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of ethane;1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is UDSXWPDCDZBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.2C2H6/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11;2*1-2/h11H,2-9H2,1H3;2*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 272.43 g/mol, XLogP of 2.38, 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 143677939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).