3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid

C12H15FN2O2 — CID 138597714

IUPAC3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-5-3-8(4-6-9)11-10(14)2-1-7-15(11)12(16)17/h3-6,10-11H,1-2,7,14H2,(H,16,17)
InChIKeyGUBOXYSZJLDQIL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.97
Rot. Bonds1

About 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid

3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 138597714) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID138597714
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c13-9-5-3-8(4-6-9)11-10(14)2-1-7-15(11)12(16)17/h3-6,10-11H,1-2,7,14H2,(H,16,17)
InChIKeyGUBOXYSZJLDQIL-UHFFFAOYSA-N
XLogP1.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]pyrrolidine-1-carboxylic acid
CID 155434176
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 141043533
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
(2S,3R)-1-acetyl-2-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 56926799
2-(4-fluoroanilino)piperidine-1-carboxylic acid
CID 90887307
2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 155023933
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 138597714) is 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid is NC1CCCN(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is GUBOXYSZJLDQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-5-3-8(4-6-9)11-10(14)2-1-7-15(11)12(16)17/h3-6,10-11H,1-2,7,14H2,(H,16,17).
What are the key properties of 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 138597714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).