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

C12H15FN2O2 — CID 117011781

IUPAC4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-2-4-10(9)15-7-5-12(14,6-8-15)11(16)17/h1-4H,5-8,14H2,(H,16,17)
InChIKeyVLEPUCCXWAKYMS-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.21
Rot. Bonds2

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

4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 117011781) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID117011781
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-2-4-10(9)15-7-5-12(14,6-8-15)11(16)17/h1-4H,5-8,14H2,(H,16,17)
InChIKeyVLEPUCCXWAKYMS-UHFFFAOYSA-N
XLogP1.21
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295
3-(difluoromethyl)-1-(2-fluorophenyl)pyrrolidin-3-amine
CID 115037625
4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
CID 117011771
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
4-(fluoromethyl)-1-(2-hydroxyphenyl)piperidine-4-carboxylic acid
CID 115055612
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107023624
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid (CID 117011781) is 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid is NC1(C(=O)O)CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is VLEPUCCXWAKYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-1-2-4-10(9)15-7-5-12(14,6-8-15)11(16)17/h1-4H,5-8,14H2,(H,16,17).
What are the key properties of 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid?
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).