2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile

C13H17N3O — CID 117096430

IUPAC2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile
SMILESCN1CCCC(C)(Oc2ncccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-13(6-4-8-16(2)10-13)17-12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8,10H2,1-2H3
InChIKeyIICKWDZWTXAXNL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.82
Rot. Bonds2

About 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile

2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile (PubChem CID 117096430) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile
PubChem CID117096430
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile
SMILESCN1CCCC(C)(Oc2ncccc2C#N)C1
InChIInChI=1S/C13H17N3O/c1-13(6-4-8-16(2)10-13)17-12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8,10H2,1-2H3
InChIKeyIICKWDZWTXAXNL-UHFFFAOYSA-N
XLogP1.82
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
[2-(1,4-dimethylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
CID 117096828
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613
2-[[1-(aminomethyl)cyclopropyl]methoxy]pyridine-3-carbonitrile
CID 117096438
2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-3-carbonitrile
CID 117096423
2-(2-methylcyclohexyl)oxypyridine-3-carbonitrile
CID 43184944
2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
CID 115765447
[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
CID 117045767
2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
CID 56702155
2-[[1-(cyclopentylmethyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873922
5-(1,3-dimethylpiperidin-3-yl)oxy-2,3-dihydro-1H-isoindole
CID 115076103
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile (CID 117096430) is 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile is CN1CCCC(C)(Oc2ncccc2C#N)C1.
What is the InChIKey of 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile?
The InChIKey is IICKWDZWTXAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(6-4-8-16(2)10-13)17-12-11(9-14)5-3-7-15-12/h3,5,7H,4,6,8,10H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile?
2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpiperidin-3-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 117096430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).