3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

C20H22ClN3O — CID 56584074

IUPAC3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-17-6-4-15(5-7-17)2-3-16-10-12-24(13-11-16)20-9-8-18(21)19(14-22)23-20/h4-9,16H,2-3,10-13H2,1H3
InChIKeyOUQJZFSXCPASQI-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.46
Rot. Bonds5

About 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 56584074) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID56584074
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1
InChIInChI=1S/C20H22ClN3O/c1-25-17-6-4-15(5-7-17)2-3-16-10-12-24(13-11-16)20-9-8-18(21)19(14-22)23-20/h4-9,16H,2-3,10-13H2,1H3
InChIKeyOUQJZFSXCPASQI-UHFFFAOYSA-N
XLogP4.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 56584074) is 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is COc1ccc(CCC2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1.
What is the InChIKey of 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is OUQJZFSXCPASQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-17-6-4-15(5-7-17)2-3-16-10-12-24(13-11-16)20-9-8-18(21)19(14-22)23-20/h4-9,16H,2-3,10-13H2,1H3.
What are the key properties of 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 355.87 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 56584074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).