1-tert-butyl-3-phenylmethoxypiperidin-4-one

C16H23NO2 — CID 67506011

IUPAC1-tert-butyl-3-phenylmethoxypiperidin-4-one
SMILESCC(C)(C)N1CCC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)17-10-9-14(18)15(11-17)19-12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyUGMOQTYSWLPSMU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds3

About 1-tert-butyl-3-phenylmethoxypiperidin-4-one

1-tert-butyl-3-phenylmethoxypiperidin-4-one (PubChem CID 67506011) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-tert-butyl-3-phenylmethoxypiperidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-phenylmethoxypiperidin-4-one
PubChem CID67506011
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-tert-butyl-3-phenylmethoxypiperidin-4-one
SMILESCC(C)(C)N1CCC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)17-10-9-14(18)15(11-17)19-12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3
InChIKeyUGMOQTYSWLPSMU-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-phenylmethoxypiperidin-4-one?
The IUPAC name of 1-tert-butyl-3-phenylmethoxypiperidin-4-one (CID 67506011) is 1-tert-butyl-3-phenylmethoxypiperidin-4-one.
What is the SMILES notation for 1-tert-butyl-3-phenylmethoxypiperidin-4-one?
The canonical SMILES for 1-tert-butyl-3-phenylmethoxypiperidin-4-one is CC(C)(C)N1CCC(=O)C(OCc2ccccc2)C1.
What is the InChIKey of 1-tert-butyl-3-phenylmethoxypiperidin-4-one?
The InChIKey is UGMOQTYSWLPSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)17-10-9-14(18)15(11-17)19-12-13-7-5-4-6-8-13/h4-8,15H,9-12H2,1-3H3.
What are the key properties of 1-tert-butyl-3-phenylmethoxypiperidin-4-one?
1-tert-butyl-3-phenylmethoxypiperidin-4-one has a molecular weight of 261.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenylmethoxypiperidin-4-one is sourced from PubChem (CID 67506011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).