2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one

C20H31NO2 — CID 22341848

IUPAC2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one
SMILESCCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C20H31NO2/c1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17/h9-13,15-16H,7-8,14H2,1-6H3
InChIKeyXNTBMMKNLWUKDH-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.93
Rot. Bonds5

About 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one

2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one (PubChem CID 22341848) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one.

Molecular Properties

Compound Name2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one
PubChem CID22341848
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one
SMILESCCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C20H31NO2/c1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17/h9-13,15-16H,7-8,14H2,1-6H3
InChIKeyXNTBMMKNLWUKDH-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one?
The IUPAC name of 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one (CID 22341848) is 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one.
What is the SMILES notation for 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one?
The canonical SMILES for 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one is CCC1(C)CC(=O)C(C)C(C)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one?
The InChIKey is XNTBMMKNLWUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-7-19(5)14-18(22)15(3)20(6,8-2)21(19)23-16(4)17-12-10-9-11-13-17/h9-13,15-16H,7-8,14H2,1-6H3.
What are the key properties of 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one?
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one has a molecular weight of 317.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-one is sourced from PubChem (CID 22341848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).