2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid

C14H17F2NO2 — CID 174722870

IUPAC2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H17F2NO2/c15-11-3-10(4-12(16)8-11)6-13-5-9(1-2-17-13)7-14(18)19/h3-4,8-9,13,17H,1-2,5-7H2,(H,18,19)
InChIKeyHOXJOHITKUSLDA-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid

2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 174722870) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID174722870
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H17F2NO2/c15-11-3-10(4-12(16)8-11)6-13-5-9(1-2-17-13)7-14(18)19/h3-4,8-9,13,17H,1-2,5-7H2,(H,18,19)
InChIKeyHOXJOHITKUSLDA-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722897
2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 174645076
2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 105409335
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078
4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106781871
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
3-(azetidin-2-ylmethyl)-5-fluorophenol
CID 84657924
dimethyl 2-[(3,5-difluorophenyl)methyl]piperidine-1,4-dicarboxylate;methyl 2-[(3,5-difluorophenyl)methyl]piperidine-4-carboxylate
CID 160853085
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
CID 174645078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid (CID 174722870) is 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is HOXJOHITKUSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-11-3-10(4-12(16)8-11)6-13-5-9(1-2-17-13)7-14(18)19/h3-4,8-9,13,17H,1-2,5-7H2,(H,18,19).
What are the key properties of 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 174722870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).