2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid

C14H17Cl2NO3 — CID 175761463

IUPAC2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
SMILESCOc1ccc(Cl)c(Cl)c1C1CCNC(CC(=O)O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-20-11-3-2-10(15)14(16)13(11)8-4-5-17-9(6-8)7-12(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19)
InChIKeyWYTNZCKDERKXAE-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid

2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid (PubChem CID 175761463) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
PubChem CID175761463
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid
SMILESCOc1ccc(Cl)c(Cl)c1C1CCNC(CC(=O)O)C1
InChIInChI=1S/C14H17Cl2NO3/c1-20-11-3-2-10(15)14(16)13(11)8-4-5-17-9(6-8)7-12(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19)
InChIKeyWYTNZCKDERKXAE-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid (CID 175761463) is 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid is COc1ccc(Cl)c(Cl)c1C1CCNC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid?
The InChIKey is WYTNZCKDERKXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-20-11-3-2-10(15)14(16)13(11)8-4-5-17-9(6-8)7-12(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid?
2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid has a molecular weight of 318.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichloro-6-methoxyphenyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 175761463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).