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

C12H23NO — CID 69087789

IUPAC1-ethyl-4-(oxan-4-yl)piperidine
SMILESCCN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-13-7-3-11(4-8-13)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3
InChIKeyMVHHCDVWRWZNGA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds2

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

1-ethyl-4-(oxan-4-yl)piperidine (PubChem CID 69087789) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-ethyl-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(oxan-4-yl)piperidine
PubChem CID69087789
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-ethyl-4-(oxan-4-yl)piperidine
SMILESCCN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-13-7-3-11(4-8-13)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3
InChIKeyMVHHCDVWRWZNGA-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(oxan-4-yl)piperidine?
The IUPAC name of 1-ethyl-4-(oxan-4-yl)piperidine (CID 69087789) is 1-ethyl-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(oxan-4-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(oxan-4-yl)piperidine is CCN1CCC(C2CCOCC2)CC1.
What is the InChIKey of 1-ethyl-4-(oxan-4-yl)piperidine?
The InChIKey is MVHHCDVWRWZNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13-7-3-11(4-8-13)12-5-9-14-10-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-ethyl-4-(oxan-4-yl)piperidine?
1-ethyl-4-(oxan-4-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 69087789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).