3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

C15H19ClFNO3 — CID 65066052

IUPAC3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H19ClFNO3/c16-13-2-1-11(9-14(13)17)10-18-6-3-12(4-7-18)21-8-5-15(19)20/h1-2,9,12H,3-8,10H2,(H,19,20)
InChIKeyWSHFQIAZYSBEKM-UHFFFAOYSA-N
MW315.77 g/mol
LogP2.93
Rot. Bonds6

About 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65066052) has the molecular formula C15H19ClFNO3 and a molecular weight of 315.77 g/mol. Its IUPAC name is 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65066052
Molecular FormulaC15H19ClFNO3
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H19ClFNO3/c16-13-2-1-11(9-14(13)17)10-18-6-3-12(4-7-18)21-8-5-15(19)20/h1-2,9,12H,3-8,10H2,(H,19,20)
InChIKeyWSHFQIAZYSBEKM-UHFFFAOYSA-N
XLogP2.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chloro-benzyl)-piperidin-4-ol
CID 764482
3-[4-(4-Chlorobenzyl)piperazin-1-yl]propanoic acid dihydrochloride
CID 43810765
3-[4-(4-Chlorobenzyl)piperazin-1-yl]propanoic acid
CID 17571620
1-[(4-Chloro-3-fluorophenyl)methyl]piperidin-4-ol
CID 24904765
1-[(4-Chloro-3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 24904769
1-[(4-Chloro-2-fluorophenyl)methyl]piperidin-4-ol
CID 24904878
1-[(4-Chloro-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 24904883
3-[4-(2-Chloro-6-fluorobenzyl)piperazin-1-yl]propanoic acid
CID 43397233
3-[4-[(2-Chloro-4-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 43522424
Ethyl 3-[(2-chloro-6-fluorophenyl)methyl-methylamino]propanoate
CID 60647885
4-[(2-Chloro-6-fluorophenyl)methyl]morpholine-2-carboxylic acid
CID 61736784
4-[(2-Chloro-4-fluorophenyl)methyl]morpholine-2-carboxylic acid
CID 61738167

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (CID 65066052) is 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is WSHFQIAZYSBEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO3/c16-13-2-1-11(9-14(13)17)10-18-6-3-12(4-7-18)21-8-5-15(19)20/h1-2,9,12H,3-8,10H2,(H,19,20).
What are the key properties of 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 315.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65066052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).