4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one

C17H25NO — CID 58652515

IUPAC4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1C(=O)NC(CCc2ccccc2)CC1C
InChIInChI=1S/C17H25NO/c1-12(2)16-13(3)11-15(18-17(16)19)10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)
InChIKeyBNRVEFUTXWCVFJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.42
Rot. Bonds4

About 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one

4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one (PubChem CID 58652515) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one
PubChem CID58652515
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1C(=O)NC(CCc2ccccc2)CC1C
InChIInChI=1S/C17H25NO/c1-12(2)16-13(3)11-15(18-17(16)19)10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)
InChIKeyBNRVEFUTXWCVFJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
5-methyl-2-(2-phenylethyl)piperidine
CID 81320090
3-(2-phenylethyl)piperidin-2-one
CID 10798202
ethyl 6-(iodomethyl)-2-oxo-4-(2-phenylethyl)-1,3-diazinane-1-carboxylate
CID 85162281
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
5-benzyl-3-trimethylsilylpyrrolidin-2-one
CID 3024936
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one
CID 102302633
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
4-[(E)-2-phenylethenyl]-3-propan-2-ylazetidin-2-one
CID 70066029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one?
The IUPAC name of 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one (CID 58652515) is 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one is CC(C)C1C(=O)NC(CCc2ccccc2)CC1C.
What is the InChIKey of 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one?
The InChIKey is BNRVEFUTXWCVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)16-13(3)11-15(18-17(16)19)10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one?
4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 58652515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).