3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile

C12H15N3O — CID 114287934

IUPAC3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
SMILESCN1CCC(Oc2cnccc2C#N)CC1
InChIInChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyZOCBLBNWRCZJFA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile

3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile (PubChem CID 114287934) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
PubChem CID114287934
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
SMILESCN1CCC(Oc2cnccc2C#N)CC1
InChIInChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3
InChIKeyZOCBLBNWRCZJFA-UHFFFAOYSA-N
XLogP1.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
CID 113269473
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
CID 167763875
8-(1-methylpiperidin-4-yl)oxyisoquinolin-5-amine
CID 103139941
4-(difluoromethyl)-3-(1-methylpyrrolidin-3-yl)oxypyridine
CID 145415333
3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234769
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
CID 71491294
5-ethyl-6-(1-methylpiperidin-4-yl)oxyisoquinoline
CID 70968627
6-amino-7-(1-methylpiperidin-4-yl)oxy-4-(pyridin-3-ylamino)quinoline-3-carbonitrile
CID 89496243

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile (CID 114287934) is 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile is CN1CCC(Oc2cnccc2C#N)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
The InChIKey is ZOCBLBNWRCZJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-6-3-11(4-7-15)16-12-9-14-5-2-10(12)8-13/h2,5,9,11H,3-4,6-7H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile?
3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 114287934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).