1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid

C15H20FNO2 — CID 106745286

IUPAC1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10-9-13(15(18)19)7-8-17(10)11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyOAEPFNLROFJEEA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.07
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid

1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745286) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745286
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10-9-13(15(18)19)7-8-17(10)11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19)
InChIKeyOAEPFNLROFJEEA-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-iodophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083273
1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745542
1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745373
1-[1-(2,6-dihydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 107711644
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745400
1-[1-(2,5-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745319
1-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083057
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 106744633

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid (CID 106745286) is 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is OAEPFNLROFJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-9-13(15(18)19)7-8-17(10)11(2)12-3-5-14(16)6-4-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid?
1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.07, 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]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).