3-ethyl-1-(oxolan-2-ylmethyl)piperidine

C12H23NO — CID 128928921

IUPAC3-ethyl-1-(oxolan-2-ylmethyl)piperidine
SMILESCCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C12H23NO/c1-2-11-5-3-7-13(9-11)10-12-6-4-8-14-12/h11-12H,2-10H2,1H3
InChIKeyMTKWCTOPEBMNOU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds3

About 3-ethyl-1-(oxolan-2-ylmethyl)piperidine

3-ethyl-1-(oxolan-2-ylmethyl)piperidine (PubChem CID 128928921) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethyl-1-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(oxolan-2-ylmethyl)piperidine
PubChem CID128928921
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethyl-1-(oxolan-2-ylmethyl)piperidine
SMILESCCC1CCCN(CC2CCCO2)C1
InChIInChI=1S/C12H23NO/c1-2-11-5-3-7-13(9-11)10-12-6-4-8-14-12/h11-12H,2-10H2,1H3
InChIKeyMTKWCTOPEBMNOU-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of 3-ethyl-1-(oxolan-2-ylmethyl)piperidine (CID 128928921) is 3-ethyl-1-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-ethyl-1-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for 3-ethyl-1-(oxolan-2-ylmethyl)piperidine is CCC1CCCN(CC2CCCO2)C1.
What is the InChIKey of 3-ethyl-1-(oxolan-2-ylmethyl)piperidine?
The InChIKey is MTKWCTOPEBMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11-5-3-7-13(9-11)10-12-6-4-8-14-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-ethyl-1-(oxolan-2-ylmethyl)piperidine?
3-ethyl-1-(oxolan-2-ylmethyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 128928921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).