2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid

C14H18FNO2 — CID 59036689

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(8-6-12)10-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyFWEYQENWGONHGF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid (PubChem CID 59036689) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
PubChem CID59036689
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(8-6-12)10-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyFWEYQENWGONHGF-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid (CID 59036689) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The InChIKey is FWEYQENWGONHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(8-6-12)10-14(17)18/h1-4,12H,5-10H2,(H,17,18).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid has a molecular weight of 251.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 59036689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).