2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile

C20H23N3O — CID 56702155

IUPAC2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
SMILESCc1cc(CN2CCCCC2)cc(C)c1Oc1ncccc1C#N
InChIInChI=1S/C20H23N3O/c1-15-11-17(14-23-9-4-3-5-10-23)12-16(2)19(15)24-20-18(13-21)7-6-8-22-20/h6-8,11-12H,3-5,9-10,14H2,1-2H3
InChIKeyQWRKCLRLYSEVIC-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.35
Rot. Bonds4

About 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile

2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 56702155) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID56702155
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
SMILESCc1cc(CN2CCCCC2)cc(C)c1Oc1ncccc1C#N
InChIInChI=1S/C20H23N3O/c1-15-11-17(14-23-9-4-3-5-10-23)12-16(2)19(15)24-20-18(13-21)7-6-8-22-20/h6-8,11-12H,3-5,9-10,14H2,1-2H3
InChIKeyQWRKCLRLYSEVIC-UHFFFAOYSA-N
XLogP4.35
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxynicotinonitrile
CID 84242
Ro 31-6930
CID 3036546
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
US10155760, Example 15
CID 118420229
US10155760, Example 48
CID 118429888
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
6-(4-Heptoxyphenyl)-3-pyridinecarbonitrile
CID 3126290
1-[4-(2,4-Dipentylphenoxy)butyl]-3-methylpyridin-1-ium chloride
CID 16192713
1-{4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butyl}-4-methylpyridinium
CID 16193983
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
6-{4-[3-(4-Methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
CID 46238539

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile (CID 56702155) is 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile is Cc1cc(CN2CCCCC2)cc(C)c1Oc1ncccc1C#N.
What is the InChIKey of 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is QWRKCLRLYSEVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-11-17(14-23-9-4-3-5-10-23)12-16(2)19(15)24-20-18(13-21)7-6-8-22-20/h6-8,11-12H,3-5,9-10,14H2,1-2H3.
What are the key properties of 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 56702155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).