(2-hydroxyphenyl) piperidine-4-carboxylate

C12H15NO3 — CID 117125932

IUPAC(2-hydroxyphenyl) piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1O)C1CCNCC1
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-4-11(10)16-12(15)9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2
InChIKeyPSPJSXBONGYUJB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.30
Rot. Bonds2

About (2-hydroxyphenyl) piperidine-4-carboxylate

(2-hydroxyphenyl) piperidine-4-carboxylate (PubChem CID 117125932) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-hydroxyphenyl) piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-hydroxyphenyl) piperidine-4-carboxylate
PubChem CID117125932
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2-hydroxyphenyl) piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1O)C1CCNCC1
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-4-11(10)16-12(15)9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2
InChIKeyPSPJSXBONGYUJB-UHFFFAOYSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) piperidine-4-carboxylate?
The IUPAC name of (2-hydroxyphenyl) piperidine-4-carboxylate (CID 117125932) is (2-hydroxyphenyl) piperidine-4-carboxylate.
What is the SMILES notation for (2-hydroxyphenyl) piperidine-4-carboxylate?
The canonical SMILES for (2-hydroxyphenyl) piperidine-4-carboxylate is O=C(Oc1ccccc1O)C1CCNCC1.
What is the InChIKey of (2-hydroxyphenyl) piperidine-4-carboxylate?
The InChIKey is PSPJSXBONGYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-3-1-2-4-11(10)16-12(15)9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2.
What are the key properties of (2-hydroxyphenyl) piperidine-4-carboxylate?
(2-hydroxyphenyl) piperidine-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) piperidine-4-carboxylate is sourced from PubChem (CID 117125932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).