2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid

C14H17ClFNO2 — CID 70677822

IUPAC2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)C(CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClFNO2/c15-11-3-1-10(2-4-11)13(14(18)19)9-17-7-5-12(16)6-8-17/h1-4,12-13H,5-9H2,(H,18,19)
InChIKeyZKGYGXJGJIRPRO-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid

2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid (PubChem CID 70677822) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
PubChem CID70677822
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid
SMILESO=C(O)C(CN1CCC(F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClFNO2/c15-11-3-1-10(2-4-11)13(14(18)19)9-17-7-5-12(16)6-8-17/h1-4,12-13H,5-9H2,(H,18,19)
InChIKeyZKGYGXJGJIRPRO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
(2R)-2-(4-chlorophenyl)-1-(4-fluoropiperidin-1-yl)-4-methylpentan-3-one
CID 59670872
2-(4-chlorophenyl)-3-(4-hydroxypiperidin-1-yl)-N-methylidenepropanamide
CID 143607109
1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458342
1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]piperidin-4-ol
CID 58458138
3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-phenylpropanoic acid
CID 14097038
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
2-(4-chlorophenyl)-3-[4-[[4-[4-(3-ethylphenyl)-2,6-difluorobenzoyl]piperazin-1-yl]methyl]piperidin-1-yl]propanoic acid
CID 176761040
(3S)-3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)butan-2-one
CID 71123868
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid (CID 70677822) is 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid is O=C(O)C(CN1CCC(F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid?
The InChIKey is ZKGYGXJGJIRPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-11-3-1-10(2-4-11)13(14(18)19)9-17-7-5-12(16)6-8-17/h1-4,12-13H,5-9H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid?
2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid has a molecular weight of 285.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 70677822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).