6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile

C15H19N3O — CID 129476628

IUPAC6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC([C@H]3CCCO3)CC2)n1
InChIInChI=1S/C15H19N3O/c16-11-13-3-1-5-15(17-13)18-8-6-12(7-9-18)14-4-2-10-19-14/h1,3,5,12,14H,2,4,6-10H2/t14-/m1/s1
InChIKeyBFLKIOSHJCMEFH-CQSZACIVSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds2

About 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile

6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 129476628) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID129476628
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC([C@H]3CCCO3)CC2)n1
InChIInChI=1S/C15H19N3O/c16-11-13-3-1-5-15(17-13)18-8-6-12(7-9-18)14-4-2-10-19-14/h1,3,5,12,14H,2,4,6-10H2/t14-/m1/s1
InChIKeyBFLKIOSHJCMEFH-CQSZACIVSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile (CID 129476628) is 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC([C@H]3CCCO3)CC2)n1.
What is the InChIKey of 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is BFLKIOSHJCMEFH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-13-3-1-5-15(17-13)18-8-6-12(7-9-18)14-4-2-10-19-14/h1,3,5,12,14H,2,4,6-10H2/t14-/m1/s1.
What are the key properties of 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).