2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine

C25H27ClN2O3 — CID 130188351

IUPAC2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCCCC4)cc3)cnc2Cl)cc(OC)c1OC
InChIInChI=1S/C25H27ClN2O3/c1-29-22-14-18(15-23(30-2)24(22)31-3)21-13-19(16-27-25(21)26)17-7-9-20(10-8-17)28-11-5-4-6-12-28/h7-10,13-16H,4-6,11-12H2,1-3H3
InChIKeyRSAOAVGEJSRDHW-UHFFFAOYSA-N
MW438.96 g/mol
LogP6.09
Rot. Bonds6

About 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine

2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 130188351) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID130188351
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCCCC4)cc3)cnc2Cl)cc(OC)c1OC
InChIInChI=1S/C25H27ClN2O3/c1-29-22-14-18(15-23(30-2)24(22)31-3)21-13-19(16-27-25(21)26)17-7-9-20(10-8-17)28-11-5-4-6-12-28/h7-10,13-16H,4-6,11-12H2,1-3H3
InChIKeyRSAOAVGEJSRDHW-UHFFFAOYSA-N
XLogP6.09
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine (CID 130188351) is 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2cc(-c3ccc(N4CCCCC4)cc3)cnc2Cl)cc(OC)c1OC.
What is the InChIKey of 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is RSAOAVGEJSRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-29-22-14-18(15-23(30-2)24(22)31-3)21-13-19(16-27-25(21)26)17-7-9-20(10-8-17)28-11-5-4-6-12-28/h7-10,13-16H,4-6,11-12H2,1-3H3.
What are the key properties of 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine?
2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 438.96 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 130188351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).