6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile

C17H18N4O — CID 133433199

IUPAC6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(O)c3ccccc3)CC2)nn1
InChIInChI=1S/C17H18N4O/c18-12-15-6-7-16(20-19-15)21-10-8-14(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,14,17,22H,8-11H2
InChIKeyVPLFNBUUHSYGEN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds3

About 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133433199) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133433199
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(O)c3ccccc3)CC2)nn1
InChIInChI=1S/C17H18N4O/c18-12-15-6-7-16(20-19-15)21-10-8-14(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,14,17,22H,8-11H2
InChIKeyVPLFNBUUHSYGEN-UHFFFAOYSA-N
XLogP2.30
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]benzenesulfonamide
CID 133434346
5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile
CID 133299526
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-5-nitrobenzonitrile
CID 24651458
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
4-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 33349056
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418949
6-[4-(3-bromophenoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133459405
(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile (CID 133433199) is 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(C(O)c3ccccc3)CC2)nn1.
What is the InChIKey of 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is VPLFNBUUHSYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-12-15-6-7-16(20-19-15)21-10-8-14(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,14,17,22H,8-11H2.
What are the key properties of 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile?
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).