4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid

C14H19NO3 — CID 69142231

IUPAC4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2CCO)CC1
InChIInChI=1S/C14H19NO3/c16-10-7-11-3-1-2-4-13(11)12-5-8-15(9-6-12)14(17)18/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyQQTNDKGDXHNOMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds3

About 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid

4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid (PubChem CID 69142231) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
PubChem CID69142231
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2CCO)CC1
InChIInChI=1S/C14H19NO3/c16-10-7-11-3-1-2-4-13(11)12-5-8-15(9-6-12)14(17)18/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyQQTNDKGDXHNOMW-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid (CID 69142231) is 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2CCO)CC1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid?
The InChIKey is QQTNDKGDXHNOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-7-11-3-1-2-4-13(11)12-5-8-15(9-6-12)14(17)18/h1-4,12,16H,5-10H2,(H,17,18).
What are the key properties of 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid?
4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69142231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).