1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one

C14H18FNO — CID 79398659

IUPAC1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(Cc2cccc(F)c2)C1C
InChIInChI=1S/C14H18FNO/c1-10-11(2)16(7-6-14(10)17)9-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyRRPSJAAVFSDREJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one

1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79398659) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
PubChem CID79398659
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(Cc2cccc(F)c2)C1C
InChIInChI=1S/C14H18FNO/c1-10-11(2)16(7-6-14(10)17)9-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyRRPSJAAVFSDREJ-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
CID 79398439
1-[(3-chlorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406157
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
3-(3-fluorophenyl)-2-methylcyclopentan-1-one
CID 64910252
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[[3-(methoxymethyl)phenyl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383252
(5S)-9-[(3-fluorophenyl)methyl]-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392268

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one (CID 79398659) is 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(Cc2cccc(F)c2)C1C.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is RRPSJAAVFSDREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-11(2)16(7-6-14(10)17)9-12-4-3-5-13(15)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one?
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 235.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79398659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).