3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid

C14H17F2NO2 — CID 64527801

IUPAC3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c15-10-4-5-12(16)11(8-10)13(9-14(18)19)17-6-2-1-3-7-17/h4-5,8,13H,1-3,6-7,9H2,(H,18,19)
InChIKeyBJJHVGYTVXCVPK-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.97
Rot. Bonds4

About 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid

3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 64527801) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID64527801
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C14H17F2NO2/c15-10-4-5-12(16)11(8-10)13(9-14(18)19)17-6-2-1-3-7-17/h4-5,8,13H,1-3,6-7,9H2,(H,18,19)
InChIKeyBJJHVGYTVXCVPK-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114866811
3-(2-bromo-5-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114078048
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
3-(3,5-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 106534415
3-(2,6-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528925
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid (CID 64527801) is 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid is O=C(O)CC(c1cc(F)ccc1F)N1CCCCC1.
What is the InChIKey of 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is BJJHVGYTVXCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-10-4-5-12(16)11(8-10)13(9-14(18)19)17-6-2-1-3-7-17/h4-5,8,13H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid?
3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 269.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 64527801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).