3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid

C15H19Cl2NO2 — CID 64526651

IUPAC3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-9-11(16)5-6-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyFREPKYUWDNKYMV-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.17
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid

3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid (PubChem CID 64526651) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
PubChem CID64526651
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(c1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-9-11(16)5-6-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyFREPKYUWDNKYMV-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic 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-(azepan-1-yl)-3-(2,5-dichlorophenyl)butanoic acid
CID 64527529
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295
3-(2,4-dichloro-5-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528143
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)butanoic acid
CID 64529090
3-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64527170
3-(2,4-difluorophenyl)-3-piperidin-1-ylbutanoic acid
CID 64527221
2-(azepan-1-yl)-2-(2,4-dichlorophenyl)propanoic acid
CID 61058559
3-(azepan-1-yl)-3-(2-methoxyphenyl)butanoic acid
CID 64527131
3-(azepan-1-yl)-3-(3-bromophenyl)butanoic acid
CID 64527330
3-(2,5-dimethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528718
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid?
The IUPAC name of 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid (CID 64526651) is 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid?
The canonical SMILES for 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid is CC(CC(=O)O)(c1cc(Cl)ccc1Cl)N1CCCCC1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid?
The InChIKey is FREPKYUWDNKYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-15(10-14(19)20,18-7-3-2-4-8-18)12-9-11(16)5-6-13(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid?
3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid has a molecular weight of 316.23 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 64526651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).