1-[(3-ethylphenyl)methyl]piperidin-2-one

C14H19NO — CID 70929088

IUPAC1-[(3-ethylphenyl)methyl]piperidin-2-one
SMILESCCc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C14H19NO/c1-2-12-6-5-7-13(10-12)11-15-9-4-3-8-14(15)16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPEYSKGJGCHDICE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds3

About 1-[(3-ethylphenyl)methyl]piperidin-2-one

1-[(3-ethylphenyl)methyl]piperidin-2-one (PubChem CID 70929088) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(3-ethylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-ethylphenyl)methyl]piperidin-2-one
PubChem CID70929088
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(3-ethylphenyl)methyl]piperidin-2-one
SMILESCCc1cccc(CN2CCCCC2=O)c1
InChIInChI=1S/C14H19NO/c1-2-12-6-5-7-13(10-12)11-15-9-4-3-8-14(15)16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPEYSKGJGCHDICE-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1,5-bis[[3-(trifluoromethyl)phenyl]methyl]-1,5-diazacycloundecan-6-one
CID 102246471
1-[4-(3-ethylphenyl)-3-methylbutyl]pyrrolidin-2-one
CID 146604531
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1,3-diethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915316
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
1-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrrolidin-2-one
CID 55031427
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylphenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(3-ethylphenyl)methyl]piperidin-2-one (CID 70929088) is 1-[(3-ethylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-ethylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3-ethylphenyl)methyl]piperidin-2-one is CCc1cccc(CN2CCCCC2=O)c1.
What is the InChIKey of 1-[(3-ethylphenyl)methyl]piperidin-2-one?
The InChIKey is PEYSKGJGCHDICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-12-6-5-7-13(10-12)11-15-9-4-3-8-14(15)16/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 1-[(3-ethylphenyl)methyl]piperidin-2-one?
1-[(3-ethylphenyl)methyl]piperidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 70929088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).