3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol

C19H26N4O — CID 56878303

IUPAC3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
SMILESCN(C)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)nn1
InChIInChI=1S/C19H26N4O/c1-23(2)19-9-8-18(21-22-19)15-11-14(12-17(24)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20,24H,3-7,10H2,1-2H3
InChIKeyFSBQSCPODJJREJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.99
Rot. Bonds5

About 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol

3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol (PubChem CID 56878303) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
PubChem CID56878303
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
SMILESCN(C)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)nn1
InChIInChI=1S/C19H26N4O/c1-23(2)19-9-8-18(21-22-19)15-11-14(12-17(24)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20,24H,3-7,10H2,1-2H3
InChIKeyFSBQSCPODJJREJ-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049
3-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95708911

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol?
The IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol (CID 56878303) is 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol.
What is the SMILES notation for 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol?
The canonical SMILES for 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol is CN(C)c1ccc(-c2cc(O)cc(CCC3CCCCN3)c2)nn1.
What is the InChIKey of 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol?
The InChIKey is FSBQSCPODJJREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23(2)19-9-8-18(21-22-19)15-11-14(12-17(24)13-15)6-7-16-5-3-4-10-20-16/h8-9,11-13,16,20,24H,3-7,10H2,1-2H3.
What are the key properties of 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol?
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol has a molecular weight of 326.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol is sourced from PubChem (CID 56878303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).