6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile

C15H20N4O2 — CID 133419117

IUPAC6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OCC3CCCO3)CC2)nn1
InChIInChI=1S/C15H20N4O2/c16-10-12-3-4-15(18-17-12)19-7-5-13(6-8-19)21-11-14-2-1-9-20-14/h3-4,13-14H,1-2,5-9,11H2
InChIKeyYAKXMFNIWHGADN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds4

About 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133419117) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133419117
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(OCC3CCCO3)CC2)nn1
InChIInChI=1S/C15H20N4O2/c16-10-12-3-4-15(18-17-12)19-7-5-13(6-8-19)21-11-14-2-1-9-20-14/h3-4,13-14H,1-2,5-9,11H2
InChIKeyYAKXMFNIWHGADN-UHFFFAOYSA-N
XLogP1.51
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492
2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133459405
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 96979784
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
CID 154844888
2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346

Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile (CID 133419117) is 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(OCC3CCCO3)CC2)nn1.
What is the InChIKey of 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is YAKXMFNIWHGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-12-3-4-15(18-17-12)19-7-5-13(6-8-19)21-11-14-2-1-9-20-14/h3-4,13-14H,1-2,5-9,11H2.
What are the key properties of 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).