4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid

C12H14F2N2O2 — CID 18359197

IUPAC4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
SMILESNc1cc(F)c(C2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-9-5-8(15)6-10(14)11(9)7-1-3-16(4-2-7)12(17)18/h5-7H,1-4,15H2,(H,17,18)
InChIKeyPEHMPXKZPFTLOQ-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.40
Rot. Bonds1

About 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid

4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid (PubChem CID 18359197) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
PubChem CID18359197
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
SMILESNc1cc(F)c(C2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-9-5-8(15)6-10(14)11(9)7-1-3-16(4-2-7)12(17)18/h5-7H,1-4,15H2,(H,17,18)
InChIKeyPEHMPXKZPFTLOQ-UHFFFAOYSA-N
XLogP2.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-fluoroanilino)piperidine-1-carboxylic acid
CID 69030718
3,5-difluoro-4-(oxan-4-yl)aniline;2,2,2-trifluoroacetic acid
CID 175699698
tert-butyl 4-(4-amino-2-fluoro-6-methoxyphenyl)piperidine-1-carboxylate
CID 166168193
4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 121414953
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
4,4,4-trifluoro-1-[4-(2,4,6-trifluorophenyl)piperidin-1-yl]butan-1-one
CID 90254014
4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-(5,6-difluoro-3-nitro-2-pyridinyl)piperidine-1-carboxylic acid
CID 67135803
1-(5-amino-2-cyclopropyl-3-fluorophenyl)-4-methyltetrazol-5-one
CID 58287125

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid (CID 18359197) is 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid is Nc1cc(F)c(C2CCN(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is PEHMPXKZPFTLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-9-5-8(15)6-10(14)11(9)7-1-3-16(4-2-7)12(17)18/h5-7H,1-4,15H2,(H,17,18).
What are the key properties of 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid?
4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 18359197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).