1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid

C14H18FNO2 — CID 117025508

IUPAC1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
SMILESCC1(C)CCN(c2cccc(F)c2)CC1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-14(2)6-7-16(9-12(14)13(17)18)11-5-3-4-10(15)8-11/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyXKHSCDSJRJCGFW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid

1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid (PubChem CID 117025508) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
PubChem CID117025508
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
SMILESCC1(C)CCN(c2cccc(F)c2)CC1C(=O)O
InChIInChI=1S/C14H18FNO2/c1-14(2)6-7-16(9-12(14)13(17)18)11-5-3-4-10(15)8-11/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyXKHSCDSJRJCGFW-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
CID 117025549
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
1-(3-fluorophenyl)-4-iodopiperidin-4-ol
CID 167250481
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
CID 57060479
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97451949
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
CID 117025087
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid (CID 117025508) is 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid is CC1(C)CCN(c2cccc(F)c2)CC1C(=O)O.
What is the InChIKey of 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid?
The InChIKey is XKHSCDSJRJCGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2)6-7-16(9-12(14)13(17)18)11-5-3-4-10(15)8-11/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid?
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117025508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).