3-ethyl-1-(oxan-4-yl)piperidine

C12H23NO — CID 76573035

IUPAC3-ethyl-1-(oxan-4-yl)piperidine
SMILESCCC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C12H23NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h11-12H,2-10H2,1H3
InChIKeyQVFGDEKEDXWDJL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds2

About 3-ethyl-1-(oxan-4-yl)piperidine

3-ethyl-1-(oxan-4-yl)piperidine (PubChem CID 76573035) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(oxan-4-yl)piperidine
PubChem CID76573035
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethyl-1-(oxan-4-yl)piperidine
SMILESCCC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C12H23NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h11-12H,2-10H2,1H3
InChIKeyQVFGDEKEDXWDJL-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(oxan-4-yl)piperidine?
The IUPAC name of 3-ethyl-1-(oxan-4-yl)piperidine (CID 76573035) is 3-ethyl-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-ethyl-1-(oxan-4-yl)piperidine?
The canonical SMILES for 3-ethyl-1-(oxan-4-yl)piperidine is CCC1CCCN(C2CCOCC2)C1.
What is the InChIKey of 3-ethyl-1-(oxan-4-yl)piperidine?
The InChIKey is QVFGDEKEDXWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11-4-3-7-13(10-11)12-5-8-14-9-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-ethyl-1-(oxan-4-yl)piperidine?
3-ethyl-1-(oxan-4-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 76573035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).