2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid

C13H16FNO2 — CID 106820681

IUPAC2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid
SMILESO=C(O)C(F)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H16FNO2/c14-12(13(16)17)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,17)
InChIKeyKIKJOZYWGOBITR-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.33
Rot. Bonds3

About 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid

2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid (PubChem CID 106820681) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid
PubChem CID106820681
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid
SMILESO=C(O)C(F)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C13H16FNO2/c14-12(13(16)17)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,17)
InChIKeyKIKJOZYWGOBITR-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(1-phenylpyrrolidin-3-yl)acetamide
CID 70460540
2-methyl-3-[methyl-(1-phenylpiperidin-4-yl)amino]propanoic acid
CID 106821073
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
2-fluoro-2-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]acetic acid
CID 166317343
2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
CID 155209815
carbamic acid;1-phenylpiperidine
CID 161473217
7-azabicyclo[2.2.1]hepta-1,3,5-triene;1-phenylpiperidine-4-carboxamide
CID 174454085
N-ethyl-N-methyl-1-phenylpiperidine-4-carboxamide
CID 67767896
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
(E)-3-[4-(4-propan-2-ylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 103499693

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid (CID 106820681) is 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid is O=C(O)C(F)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid?
The InChIKey is KIKJOZYWGOBITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12(13(16)17)10-6-8-15(9-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,16,17).
What are the key properties of 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid?
2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-phenylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 106820681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).