6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid

C13H15Cl2NO2 — CID 112574038

IUPAC6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C13H15Cl2NO2/c14-9-5-4-8(11(15)7-9)6-10-2-1-3-12(16-10)13(17)18/h4-5,7,10,12,16H,1-3,6H2,(H,17,18)
InChIKeyHATFWLMEVYMMBE-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.13
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid

6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 112574038) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID112574038
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(Cc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C13H15Cl2NO2/c14-9-5-4-8(11(15)7-9)6-10-2-1-3-12(16-10)13(17)18/h4-5,7,10,12,16H,1-3,6H2,(H,17,18)
InChIKeyHATFWLMEVYMMBE-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid (CID 112574038) is 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCC(Cc2ccc(Cl)cc2Cl)N1.
What is the InChIKey of 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is HATFWLMEVYMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-5-4-8(11(15)7-9)6-10-2-1-3-12(16-10)13(17)18/h4-5,7,10,12,16H,1-3,6H2,(H,17,18).
What are the key properties of 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid?
6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 288.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 112574038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).