6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile

C16H15BrN4O — CID 133459405

IUPAC6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3cccc(Br)c3)CC2)nn1
InChIInChI=1S/C16H15BrN4O/c17-12-2-1-3-15(10-12)22-14-6-8-21(9-7-14)16-5-4-13(11-18)19-20-16/h1-5,10,14H,6-9H2
InChIKeyNQLCYVVPXHUFOG-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.16
Rot. Bonds3

About 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133459405) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133459405
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3cccc(Br)c3)CC2)nn1
InChIInChI=1S/C16H15BrN4O/c17-12-2-1-3-15(10-12)22-14-6-8-21(9-7-14)16-5-4-13(11-18)19-20-16/h1-5,10,14H,6-9H2
InChIKeyNQLCYVVPXHUFOG-UHFFFAOYSA-N
XLogP3.16
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117
3-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 22031328
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418949
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
2-[4-(3-bromophenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977419
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
6-(3-oxopyrrolidin-1-yl)pyridazine-3-carbonitrile
CID 131122931

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile (CID 133459405) is 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3cccc(Br)c3)CC2)nn1.
What is the InChIKey of 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is NQLCYVVPXHUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-12-2-1-3-15(10-12)22-14-6-8-21(9-7-14)16-5-4-13(11-18)19-20-16/h1-5,10,14H,6-9H2.
What are the key properties of 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile?
6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 359.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133459405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).