4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid

C19H20ClNO3 — CID 11725139

IUPAC4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CCCN(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-5-7-17(8-6-16)21-11-1-2-14(12-21)13-24-18-9-3-15(4-10-18)19(22)23/h3-10,14H,1-2,11-13H2,(H,22,23)
InChIKeyGGGDPEHPHVYHKQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.33
Rot. Bonds5

About 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid

4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid (PubChem CID 11725139) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid
PubChem CID11725139
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCC2CCCN(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H20ClNO3/c20-16-5-7-17(8-6-16)21-11-1-2-14(12-21)13-24-18-9-3-15(4-10-18)19(22)23/h3-10,14H,1-2,11-13H2,(H,22,23)
InChIKeyGGGDPEHPHVYHKQ-UHFFFAOYSA-N
XLogP4.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic 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

4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]butan-1-one
CID 110638727
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-(4-chlorophenoxy)-N-[4-[(3R)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427785
2-(4-chlorophenyl)-1-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737477
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid (CID 11725139) is 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid is O=C(O)c1ccc(OCC2CCCN(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid?
The InChIKey is GGGDPEHPHVYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-16-5-7-17(8-6-16)21-11-1-2-14(12-21)13-24-18-9-3-15(4-10-18)19(22)23/h3-10,14H,1-2,11-13H2,(H,22,23).
What are the key properties of 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid?
4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid has a molecular weight of 345.83 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid is sourced from PubChem (CID 11725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).