1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine

C21H33NO — CID 3076290

IUPAC1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine
SMILESCCC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C21H33NO/c1-3-20(2)18-21(13-17-23-20,19-10-6-4-7-11-19)12-16-22-14-8-5-9-15-22/h4,6-7,10-11H,3,5,8-9,12-18H2,1-2H3
InChIKeyAGGOEDZVPDZWSU-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine

1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine (PubChem CID 3076290) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine
PubChem CID3076290
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine
SMILESCCC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1
InChIInChI=1S/C21H33NO/c1-3-20(2)18-21(13-17-23-20,19-10-6-4-7-11-19)12-16-22-14-8-5-9-15-22/h4,6-7,10-11H,3,5,8-9,12-18H2,1-2H3
InChIKeyAGGOEDZVPDZWSU-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine (CID 3076290) is 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine is CCC1(C)CC(CCN2CCCCC2)(c2ccccc2)CCO1.
What is the InChIKey of 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine?
The InChIKey is AGGOEDZVPDZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-3-20(2)18-21(13-17-23-20,19-10-6-4-7-11-19)12-16-22-14-8-5-9-15-22/h4,6-7,10-11H,3,5,8-9,12-18H2,1-2H3.
What are the key properties of 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine?
1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine has a molecular weight of 315.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-2-methyl-4-phenyloxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 3076290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).