3-(1-piperidin-1-ylethyl)oxolan-2-one

C11H19NO2 — CID 13129483

IUPAC3-(1-piperidin-1-ylethyl)oxolan-2-one
SMILESCC(C1CCOC1=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(10-5-8-14-11(10)13)12-6-3-2-4-7-12/h9-10H,2-8H2,1H3
InChIKeyCRPPZXPTLUICJB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds2

About 3-(1-piperidin-1-ylethyl)oxolan-2-one

3-(1-piperidin-1-ylethyl)oxolan-2-one (PubChem CID 13129483) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(1-piperidin-1-ylethyl)oxolan-2-one
PubChem CID13129483
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(1-piperidin-1-ylethyl)oxolan-2-one
SMILESCC(C1CCOC1=O)N1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(10-5-8-14-11(10)13)12-6-3-2-4-7-12/h9-10H,2-8H2,1H3
InChIKeyCRPPZXPTLUICJB-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylethyl)oxolan-2-one?
The IUPAC name of 3-(1-piperidin-1-ylethyl)oxolan-2-one (CID 13129483) is 3-(1-piperidin-1-ylethyl)oxolan-2-one.
What is the SMILES notation for 3-(1-piperidin-1-ylethyl)oxolan-2-one?
The canonical SMILES for 3-(1-piperidin-1-ylethyl)oxolan-2-one is CC(C1CCOC1=O)N1CCCCC1.
What is the InChIKey of 3-(1-piperidin-1-ylethyl)oxolan-2-one?
The InChIKey is CRPPZXPTLUICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(10-5-8-14-11(10)13)12-6-3-2-4-7-12/h9-10H,2-8H2,1H3.
What are the key properties of 3-(1-piperidin-1-ylethyl)oxolan-2-one?
3-(1-piperidin-1-ylethyl)oxolan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylethyl)oxolan-2-one is sourced from PubChem (CID 13129483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).