3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

C15H19Cl2NO3 — CID 65065674

IUPAC3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H19Cl2NO3/c16-12-7-11(8-13(17)9-12)10-18-4-1-14(2-5-18)21-6-3-15(19)20/h7-9,14H,1-6,10H2,(H,19,20)
InChIKeyWEENLRYJQBFNPO-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.45
Rot. Bonds6

About 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65065674) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65065674
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C15H19Cl2NO3/c16-12-7-11(8-13(17)9-12)10-18-4-1-14(2-5-18)21-6-3-15(19)20/h7-9,14H,1-6,10H2,(H,19,20)
InChIKeyWEENLRYJQBFNPO-UHFFFAOYSA-N
XLogP3.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(3,5-dichlorophenyl)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

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 106818963
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65479275
3-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 83233579
3-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 66157692
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905518
3-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065820
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006
3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903980

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid (CID 65065674) is 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is WEENLRYJQBFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c16-12-7-11(8-13(17)9-12)10-18-4-1-14(2-5-18)21-6-3-15(19)20/h7-9,14H,1-6,10H2,(H,19,20).
What are the key properties of 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 332.23 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65065674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).