2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid

C15H20FNO2 — CID 117025549

IUPAC2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
SMILESCC1(C)CCN(c2cccc(F)c2)CC1CC(=O)O
InChIInChI=1S/C15H20FNO2/c1-15(2)6-7-17(10-11(15)8-14(18)19)13-5-3-4-12(16)9-13/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19)
InChIKeyWOSMQPQRYRDMPZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.15
Rot. Bonds3

About 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid

2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid (PubChem CID 117025549) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
PubChem CID117025549
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid
SMILESCC1(C)CCN(c2cccc(F)c2)CC1CC(=O)O
InChIInChI=1S/C15H20FNO2/c1-15(2)6-7-17(10-11(15)8-14(18)19)13-5-3-4-12(16)9-13/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19)
InChIKeyWOSMQPQRYRDMPZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
[1-(3-fluorophenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
CID 117012349
1-(3-fluorophenyl)-4-iodopiperidin-4-ol
CID 167250481
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981540
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
CID 117025087

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid (CID 117025549) is 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid is CC1(C)CCN(c2cccc(F)c2)CC1CC(=O)O.
What is the InChIKey of 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid?
The InChIKey is WOSMQPQRYRDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-15(2)6-7-17(10-11(15)8-14(18)19)13-5-3-4-12(16)9-13/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid?
2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-4,4-dimethylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 117025549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).