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

C20H21F2NO2 — CID 19992291

IUPAC2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F2NO2/c21-17-5-1-14(2-6-17)20(15-3-7-18(22)8-4-15)16-9-11-23(12-10-16)13-19(24)25/h1-8,16,20H,9-13H2,(H,24,25)
InChIKeyOKSRELMNQYXNRB-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.89
Rot. Bonds5

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

2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid (PubChem CID 19992291) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
PubChem CID19992291
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21F2NO2/c21-17-5-1-14(2-6-17)20(15-3-7-18(22)8-4-15)16-9-11-23(12-10-16)13-19(24)25/h1-8,16,20H,9-13H2,(H,24,25)
InChIKeyOKSRELMNQYXNRB-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid (CID 19992291) is 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
The InChIKey is OKSRELMNQYXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c21-17-5-1-14(2-6-17)20(15-3-7-18(22)8-4-15)16-9-11-23(12-10-16)13-19(24)25/h1-8,16,20H,9-13H2,(H,24,25).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid?
2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid has a molecular weight of 345.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 19992291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).