5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

C20H23N3O — CID 133369795

IUPAC5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CCC2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-20-8-4-16(5-9-20)2-3-17-10-12-23(13-11-17)19-7-6-18(14-21)22-15-19/h4-9,15,17H,2-3,10-13H2,1H3
InChIKeyQYZRONPUQCLYAP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.81
Rot. Bonds5

About 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133369795) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133369795
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CCC2CCN(c3ccc(C#N)nc3)CC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-20-8-4-16(5-9-20)2-3-17-10-12-23(13-11-17)19-7-6-18(14-21)22-15-19/h4-9,15,17H,2-3,10-13H2,1H3
InChIKeyQYZRONPUQCLYAP-UHFFFAOYSA-N
XLogP3.81
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 133369795) is 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is COc1ccc(CCC2CCN(c3ccc(C#N)nc3)CC2)cc1.
What is the InChIKey of 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QYZRONPUQCLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-24-20-8-4-16(5-9-20)2-3-17-10-12-23(13-11-17)19-7-6-18(14-21)22-15-19/h4-9,15,17H,2-3,10-13H2,1H3.
What are the key properties of 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133369795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).