1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid

C14H18FNO2 — CID 3966386

IUPAC1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c1-10(11-2-4-13(15)5-3-11)16-8-6-12(7-9-16)14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyVLFGRLNQUTZTCW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid

1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid (PubChem CID 3966386) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
PubChem CID3966386
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid
SMILESCC(c1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H18FNO2/c1-10(11-2-4-13(15)5-3-11)16-8-6-12(7-9-16)14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyVLFGRLNQUTZTCW-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
2-[(2S,3R)-4,4-difluoro-1-[(4R)-1,1,1-trifluoro-7,7-dimethyloctan-4-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 24963621
2-[(2S,3R)-1-(2,8-dimethylnonan-5-yl)-4,4-difluoro-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 24963625
Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
Methyl 1-(4-methylbenzyl)-4-piperidinecarboxylate
CID 1475086
Ethyl 1-(2,4-difluorobenzyl)-4-piperidinecarboxylate
CID 2056099
2-[(2S,3R)-4,4-difluoro-1-(1,1,1-trifluoro-7,7-dimethyloctan-4-yl)-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetic acid
CID 46225360
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943
Methyl 1-benzylpiperidine-4-carboxylate
CID 11436222
1-[(3-Fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3939326
1-Benzylpiperidine-4-carboxylic acid
CID 4714983
Ethyl 1-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 764638

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid (CID 3966386) is 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid is CC(c1ccc(F)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is VLFGRLNQUTZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(11-2-4-13(15)5-3-11)16-8-6-12(7-9-16)14(17)18/h2-5,10,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid?
1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3966386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).