1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one

C16H23NO2 — CID 174861417

IUPAC1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one
SMILESCC(C)CN1CCC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13(2)10-17-9-8-15(18)16(11-17)19-12-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyHGYCCOKYDKJJHL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one

1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one (PubChem CID 174861417) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one
PubChem CID174861417
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one
SMILESCC(C)CN1CCC(=O)C(OCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13(2)10-17-9-8-15(18)16(11-17)19-12-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyHGYCCOKYDKJJHL-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one?
The IUPAC name of 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one (CID 174861417) is 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one?
The canonical SMILES for 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one is CC(C)CN1CCC(=O)C(OCc2ccccc2)C1.
What is the InChIKey of 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one?
The InChIKey is HGYCCOKYDKJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)10-17-9-8-15(18)16(11-17)19-12-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one?
1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-phenylmethoxypiperidin-4-one is sourced from PubChem (CID 174861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).