4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid

C14H19FN2O2 — CID 79049575

IUPAC4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid
SMILESCc1cc(F)cc(NC2(C(=O)O)CCN(C)CC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10-7-11(15)9-12(8-10)16-14(13(18)19)3-5-17(2)6-4-14/h7-9,16H,3-6H2,1-2H3,(H,18,19)
InChIKeyWJMJCDUAJUIIGK-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.10
Rot. Bonds3

About 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid

4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid (PubChem CID 79049575) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid
PubChem CID79049575
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid
SMILESCc1cc(F)cc(NC2(C(=O)O)CCN(C)CC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10-7-11(15)9-12(8-10)16-14(13(18)19)3-5-17(2)6-4-14/h7-9,16H,3-6H2,1-2H3,(H,18,19)
InChIKeyWJMJCDUAJUIIGK-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-fluoro-5-methylanilino)-1-methylpyrrolidine-3-carboxylate
CID 79049796
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444
1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 79049577
methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
CID 79044565
3-cyclopropyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxylic acid
CID 79044460
1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81162784
methyl 4-(3-fluoro-5-methylanilino)thiane-4-carboxylate
CID 79050358
1-ethyl-4-(3-fluoro-5-methylanilino)azepane-4-carboxamide
CID 79044709
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
2-(3-fluoro-5-methylanilino)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 112740302
4-(3-fluoro-5-methylanilino)-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105365521

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid (CID 79049575) is 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid is Cc1cc(F)cc(NC2(C(=O)O)CCN(C)CC2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is WJMJCDUAJUIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-7-11(15)9-12(8-10)16-14(13(18)19)3-5-17(2)6-4-14/h7-9,16H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid?
4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 79049575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).