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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Related Compounds

1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 162663760
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691599
5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 126673167
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride
CID 87573465
1-[4-(2-chlorophenyl)phenyl]piperidine
CID 175206648
1-(4-methoxyphenyl)piperidine
CID 10130315
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
1,4-bis[5-(3,4-dimethoxy-5-phenylmethoxyphenyl)-2-pyridinyl]-1,4-diazepane
CID 20634961

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).