2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid

C15H20FNO2 — CID 79606523

IUPAC2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(CN2CCC(CC(=O)O)CC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-2-3-13(8-14(11)16)10-17-6-4-12(5-7-17)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,19)
InChIKeySSKQWAMHVVJWLL-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79606523) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID79606523
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCc1ccc(CN2CCC(CC(=O)O)CC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-2-3-13(8-14(11)16)10-17-6-4-12(5-7-17)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,19)
InChIKeySSKQWAMHVVJWLL-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid (CID 79606523) is 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid is Cc1ccc(CN2CCC(CC(=O)O)CC2)cc1F.
What is the InChIKey of 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is SSKQWAMHVVJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-2-3-13(8-14(11)16)10-17-6-4-12(5-7-17)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 265.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).