2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid

C13H16BrNO2 — CID 115103755

IUPAC2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2Br)CCCCN1
InChIInChI=1S/C13H16BrNO2/c14-11-6-2-1-5-10(11)9-13(12(16)17)7-3-4-8-15-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17)
InChIKeyFVZNOUNIBIZDFQ-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.59
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid

2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 115103755) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID115103755
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2Br)CCCCN1
InChIInChI=1S/C13H16BrNO2/c14-11-6-2-1-5-10(11)9-13(12(16)17)7-3-4-8-15-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17)
InChIKeyFVZNOUNIBIZDFQ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid (CID 115103755) is 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1(Cc2ccccc2Br)CCCCN1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is FVZNOUNIBIZDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-11-6-2-1-5-10(11)9-13(12(16)17)7-3-4-8-15-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid?
2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 298.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 115103755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).