[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

C14H17F3N2O — CID 103441080

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1
InChIInChI=1S/C14H17F3N2O/c1-8-2-3-19(10(4-8)7-18)14(20)13-11(16)5-9(15)6-12(13)17/h5-6,8,10H,2-4,7,18H2,1H3
InChIKeyJLKFPTOGIGMYIR-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.30
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 103441080) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID103441080
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1
InChIInChI=1S/C14H17F3N2O/c1-8-2-3-19(10(4-8)7-18)14(20)13-11(16)5-9(15)6-12(13)17/h5-6,8,10H,2-4,7,18H2,1H3
InChIKeyJLKFPTOGIGMYIR-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103352282
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-nitrophenyl)methanone
CID 103440849
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107940252
2-methyl-1-(2,4,6-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 79363624
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 103440872
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
CID 103440915
4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 103440801
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (CID 103441080) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is CC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is JLKFPTOGIGMYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-2-3-19(10(4-8)7-18)14(20)13-11(16)5-9(15)6-12(13)17/h5-6,8,10H,2-4,7,18H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 286.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 103441080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).