3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid

C14H17ClFNO2 — CID 114866811

IUPAC3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C14H17ClFNO2/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)
InChIKeyTUPSJWDHHXVFGB-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.48
Rot. Bonds4

About 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid

3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 114866811) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
PubChem CID114866811
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid
SMILESO=C(O)CC(c1cc(Cl)ccc1F)N1CCCCC1
InChIInChI=1S/C14H17ClFNO2/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)
InChIKeyTUPSJWDHHXVFGB-UHFFFAOYSA-N
XLogP3.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527801
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224
3-(2-bromo-5-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114078048
3-(azepan-1-yl)-3-(2,6-difluorophenyl)propanoic acid
CID 64528307
3-(2,6-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528925
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(azepan-1-yl)-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81440678
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid (CID 114866811) is 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid is O=C(O)CC(c1cc(Cl)ccc1F)N1CCCCC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is TUPSJWDHHXVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/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-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid?
3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 285.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 114866811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).