2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

C15H19N3O — CID 166209187

IUPAC2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C2CCOC2)CC1
InChIInChI=1S/C15H19N3O/c16-10-13-2-1-6-17-15(13)18-7-3-12(4-8-18)14-5-9-19-11-14/h1-2,6,12,14H,3-5,7-9,11H2
InChIKeyYTUVOQWIPLLGSQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds2

About 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 166209187) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID166209187
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C2CCOC2)CC1
InChIInChI=1S/C15H19N3O/c16-10-13-2-1-6-17-15(13)18-7-3-12(4-8-18)14-5-9-19-11-14/h1-2,6,12,14H,3-5,7-9,11H2
InChIKeyYTUVOQWIPLLGSQ-UHFFFAOYSA-N
XLogP2.21
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
CID 166225727
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 56804487
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[(3R)-3-morpholin-4-ylsulfonylpiperidin-1-yl]pyridine-3-carbonitrile
CID 97344026
2-[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 126953172
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 133279853
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761
2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172901289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 166209187) is 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(C2CCOC2)CC1.
What is the InChIKey of 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YTUVOQWIPLLGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-13-2-1-6-17-15(13)18-7-3-12(4-8-18)14-5-9-19-11-14/h1-2,6,12,14H,3-5,7-9,11H2.
What are the key properties of 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166209187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).