1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione

C14H17FN2O2 — CID 55155376

IUPAC1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2ccc(F)c(CN)c2)C(=O)C1
InChIInChI=1S/C14H17FN2O2/c1-14(2)6-12(18)17(13(19)7-14)10-3-4-11(15)9(5-10)8-16/h3-5H,6-8,16H2,1-2H3
InChIKeyDROKLZKHCWTRJG-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.96
Rot. Bonds2

About 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione

1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 55155376) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID55155376
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(c2ccc(F)c(CN)c2)C(=O)C1
InChIInChI=1S/C14H17FN2O2/c1-14(2)6-12(18)17(13(19)7-14)10-3-4-11(15)9(5-10)8-16/h3-5H,6-8,16H2,1-2H3
InChIKeyDROKLZKHCWTRJG-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(m-Trifluorophenyl)piperazine, 7
CID 42618269
1-(m-Trifluorophenyl)piperazine, 6
CID 11453751
1-(m-Trifluorophenyl)piperazine, 5
CID 23661734
8-{2-[4-(2-Fluoro-5-methyl-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9908283
8-{2-[4-(2-Fluoro-5-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11224478
1-[3-Oxo-3-(3-toluidino)propyl]-4-piperidinecarboxamide
CID 739961
N-tert-butyl-1-[[3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 129626210
2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 3242659
4-Methyl-1-(4-methylphenyl)piperidine-2,6-dione
CID 2732323
N-cyclohexyl-1-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 129625950
N-tert-butyl-1-[[3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 129626208
1-[4-(Aminomethyl)phenyl]piperidin-2-one
CID 4712025

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione (CID 55155376) is 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(c2ccc(F)c(CN)c2)C(=O)C1.
What is the InChIKey of 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is DROKLZKHCWTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(2)6-12(18)17(13(19)7-14)10-3-4-11(15)9(5-10)8-16/h3-5H,6-8,16H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione?
1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 264.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 55155376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).