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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Related Compounds

5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
CID 101468380
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56584074
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133338678
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798571
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075

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).