4-(2-chlorophenyl)piperidine-3-carboxylic acid

C12H14ClNO2 — CID 82388184

IUPAC4-(2-chlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-4-2-1-3-9(11)8-5-6-14-7-10(8)12(15)16/h1-4,8,10,14H,5-7H2,(H,15,16)
InChIKeyIIWDVNMXFMTFGY-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.12
Rot. Bonds2

About 4-(2-chlorophenyl)piperidine-3-carboxylic acid

4-(2-chlorophenyl)piperidine-3-carboxylic acid (PubChem CID 82388184) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-(2-chlorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)piperidine-3-carboxylic acid
PubChem CID82388184
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-(2-chlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-4-2-1-3-9(11)8-5-6-14-7-10(8)12(15)16/h1-4,8,10,14H,5-7H2,(H,15,16)
InChIKeyIIWDVNMXFMTFGY-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)piperidine-3-carboxylic acid (CID 82388184) is 4-(2-chlorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)piperidine-3-carboxylic acid is O=C(O)C1CNCCC1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)piperidine-3-carboxylic acid?
The InChIKey is IIWDVNMXFMTFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-4-2-1-3-9(11)8-5-6-14-7-10(8)12(15)16/h1-4,8,10,14H,5-7H2,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)piperidine-3-carboxylic acid?
4-(2-chlorophenyl)piperidine-3-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82388184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).