phenyl 1-pyridin-3-ylpiperidine-2-carboxylate

C17H18N2O2 — CID 139888356

IUPACphenyl 1-pyridin-3-ylpiperidine-2-carboxylate
SMILESO=C(Oc1ccccc1)C1CCCCN1c1cccnc1
InChIInChI=1S/C17H18N2O2/c20-17(21-15-8-2-1-3-9-15)16-10-4-5-12-19(16)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2
InChIKeyGBPHDKKPAHYDBQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.05
Rot. Bonds3

About phenyl 1-pyridin-3-ylpiperidine-2-carboxylate

phenyl 1-pyridin-3-ylpiperidine-2-carboxylate (PubChem CID 139888356) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is phenyl 1-pyridin-3-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Namephenyl 1-pyridin-3-ylpiperidine-2-carboxylate
PubChem CID139888356
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namephenyl 1-pyridin-3-ylpiperidine-2-carboxylate
SMILESO=C(Oc1ccccc1)C1CCCCN1c1cccnc1
InChIInChI=1S/C17H18N2O2/c20-17(21-15-8-2-1-3-9-15)16-10-4-5-12-19(16)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2
InChIKeyGBPHDKKPAHYDBQ-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl 1-pyridin-3-ylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyridinecarboxylic acid, phenyl ester
CID 185597
3-Pyridineacrylic acid, 2-(4-(p-methoxyphenyl)-1-piperazinyl)ethyl ester
CID 6444454
2-Phenoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 704393
(2-Aminophenyl) 2-pyridin-1-ium-1-ylacetate
CID 3165335
(4S)-1-methyl-2-oxo-N-(2-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 93825702
(4-Fluorophenyl) pyridine-2-carboxylate
CID 69374976
4-Fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid
CID 90046662
1-[4-Fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid
CID 90046663
(2-Fluorophenyl) pyridine-2-carboxylate
CID 153725144
1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one
CID 176923014
Bis(2-pyridylmethyl)(2-acetoxyphenyl)amine
CID 91157960
(2R)-N-(6-phenoxy-3-pyridinyl)-1-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 26408010

Frequently Asked Questions

What is the IUPAC name of phenyl 1-pyridin-3-ylpiperidine-2-carboxylate?
The IUPAC name of phenyl 1-pyridin-3-ylpiperidine-2-carboxylate (CID 139888356) is phenyl 1-pyridin-3-ylpiperidine-2-carboxylate.
What is the SMILES notation for phenyl 1-pyridin-3-ylpiperidine-2-carboxylate?
The canonical SMILES for phenyl 1-pyridin-3-ylpiperidine-2-carboxylate is O=C(Oc1ccccc1)C1CCCCN1c1cccnc1.
What is the InChIKey of phenyl 1-pyridin-3-ylpiperidine-2-carboxylate?
The InChIKey is GBPHDKKPAHYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(21-15-8-2-1-3-9-15)16-10-4-5-12-19(16)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2.
What are the key properties of phenyl 1-pyridin-3-ylpiperidine-2-carboxylate?
phenyl 1-pyridin-3-ylpiperidine-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-pyridin-3-ylpiperidine-2-carboxylate is sourced from PubChem (CID 139888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).