phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid

C19H23NO3 — CID 143821300

IUPACphenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCNC1.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C6H11NO2/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;8-6(9)5-2-1-3-7-4-5/h1-10H,11H2;5,7H,1-4H2,(H,8,9)/t;5-/m.1/s1
InChIKeyWYWCXRUKOWUORD-QDXATWJZSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds4

About phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid

phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid (PubChem CID 143821300) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid.

Molecular Properties

Compound Namephenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid
PubChem CID143821300
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namephenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCNC1.c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H12O.C6H11NO2/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;8-6(9)5-2-1-3-7-4-5/h1-10H,11H2;5,7H,1-4H2,(H,8,9)/t;5-/m.1/s1
InChIKeyWYWCXRUKOWUORD-QDXATWJZSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid?
The IUPAC name of phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid (CID 143821300) is phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid.
What is the SMILES notation for phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid?
The canonical SMILES for phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCNC1.c1ccc(COc2ccccc2)cc1.
What is the InChIKey of phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid?
The InChIKey is WYWCXRUKOWUORD-QDXATWJZSA-N. The full InChI is InChI=1S/C13H12O.C6H11NO2/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;8-6(9)5-2-1-3-7-4-5/h1-10H,11H2;5,7H,1-4H2,(H,8,9)/t;5-/m.1/s1.
What are the key properties of phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid?
phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethylbenzene;(3R)-piperidine-3-carboxylic acid is sourced from PubChem (CID 143821300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).