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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).