4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C19H20ClN3O — CID 133391095

IUPAC4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(Oc3ccccc3Cl)CC2)c(C#N)c(C)n1
InChIInChI=1S/C19H20ClN3O/c1-13-11-18(16(12-21)14(2)22-13)23-9-7-15(8-10-23)24-19-6-4-3-5-17(19)20/h3-6,11,15H,7-10H2,1-2H3
InChIKeyOWHKWRARUDTJBF-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds3

About 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133391095) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133391095
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(Oc3ccccc3Cl)CC2)c(C#N)c(C)n1
InChIInChI=1S/C19H20ClN3O/c1-13-11-18(16(12-21)14(2)22-13)23-9-7-15(8-10-23)24-19-6-4-3-5-17(19)20/h3-6,11,15H,7-10H2,1-2H3
InChIKeyOWHKWRARUDTJBF-UHFFFAOYSA-N
XLogP4.27
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 133391095) is 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC(Oc3ccccc3Cl)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is OWHKWRARUDTJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-11-18(16(12-21)14(2)22-13)23-9-7-15(8-10-23)24-19-6-4-3-5-17(19)20/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 341.84 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenoxy)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133391095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).