4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid

C15H21FN2O2 — CID 60994611

IUPAC4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(Nc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(2)18-9-7-15(8-10-18,14(19)20)17-13-6-4-3-5-12(13)16/h3-6,11,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyAKJJMZOVGGHTGW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.57
Rot. Bonds4

About 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid

4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 60994611) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID60994611
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(Nc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C15H21FN2O2/c1-11(2)18-9-7-15(8-10-18,14(19)20)17-13-6-4-3-5-12(13)16/h3-6,11,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyAKJJMZOVGGHTGW-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075891
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
1-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 7158135
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
CID 54892985

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid (CID 60994611) is 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid is CC(C)N1CCC(Nc2ccccc2F)(C(=O)O)CC1.
What is the InChIKey of 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is AKJJMZOVGGHTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(2)18-9-7-15(8-10-18,14(19)20)17-13-6-4-3-5-12(13)16/h3-6,11,17H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid?
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid has a molecular weight of 280.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 60994611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).