2-(4-fluoroanilino)piperidine-1-carboxylic acid

C12H15FN2O2 — CID 90887307

IUPAC2-(4-fluoroanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-4-6-10(7-5-9)14-11-3-1-2-8-15(11)12(16)17/h4-7,11,14H,1-3,8H2,(H,16,17)
InChIKeyJISJAGWAIKSVTP-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-fluoroanilino)piperidine-1-carboxylic acid

2-(4-fluoroanilino)piperidine-1-carboxylic acid (PubChem CID 90887307) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(4-fluoroanilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)piperidine-1-carboxylic acid
PubChem CID90887307
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-(4-fluoroanilino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-4-6-10(7-5-9)14-11-3-1-2-8-15(11)12(16)17/h4-7,11,14H,1-3,8H2,(H,16,17)
InChIKeyJISJAGWAIKSVTP-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 155023933
2-benzamidopiperidine-1-carboxylic acid
CID 151585360
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
2-(benzylamino)azepane-1-carboxylic acid
CID 69150253
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
1-(cyclopentanecarbonylamino)-3-(4-fluorophenyl)thiourea
CID 9469539
2-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-2-oxoacetamide
CID 47336169
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138597714
2-[2-amino-5-bromo-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 150810569
3-chloro-1-(4-fluorobenzoyl)azepan-2-one
CID 3815001

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)piperidine-1-carboxylic acid?
The IUPAC name of 2-(4-fluoroanilino)piperidine-1-carboxylic acid (CID 90887307) is 2-(4-fluoroanilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluoroanilino)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(4-fluoroanilino)piperidine-1-carboxylic acid is O=C(O)N1CCCCC1Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)piperidine-1-carboxylic acid?
The InChIKey is JISJAGWAIKSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-4-6-10(7-5-9)14-11-3-1-2-8-15(11)12(16)17/h4-7,11,14H,1-3,8H2,(H,16,17).
What are the key properties of 2-(4-fluoroanilino)piperidine-1-carboxylic acid?
2-(4-fluoroanilino)piperidine-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 90887307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).