2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

C18H27NO — CID 114596662

IUPAC2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(CC(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C18H27NO/c1-13-10-14(2)16(4)19(11-13)12-15(3)18(20)17-8-6-5-7-9-17/h5-9,13-16H,10-12H2,1-4H3
InChIKeyIUPGZBWBICLLLM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one

2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (PubChem CID 114596662) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
PubChem CID114596662
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
SMILESCC1CC(C)C(C)N(CC(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C18H27NO/c1-13-10-14(2)16(4)19(11-13)12-15(3)18(20)17-8-6-5-7-9-17/h5-9,13-16H,10-12H2,1-4H3
InChIKeyIUPGZBWBICLLLM-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one (CID 114596662) is 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is CC1CC(C)C(C)N(CC(C)C(=O)c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
The InChIKey is IUPGZBWBICLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-10-14(2)16(4)19(11-13)12-15(3)18(20)17-8-6-5-7-9-17/h5-9,13-16H,10-12H2,1-4H3.
What are the key properties of 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one?
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one has a molecular weight of 273.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 114596662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).