2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol

C19H26N4O — CID 71933008

IUPAC2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNC2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C19H26N4O/c1-15-7-9-16(10-8-15)19(2,24)14-20-17-5-4-12-23(13-17)18-6-3-11-21-22-18/h3,6-11,17,20,24H,4-5,12-14H2,1-2H3
InChIKeyPRARJIISILTJGQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol

2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol (PubChem CID 71933008) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
PubChem CID71933008
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNC2CCCN(c3cccnn3)C2)cc1
InChIInChI=1S/C19H26N4O/c1-15-7-9-16(10-8-15)19(2,24)14-20-17-5-4-12-23(13-17)18-6-3-11-21-22-18/h3,6-11,17,20,24H,4-5,12-14H2,1-2H3
InChIKeyPRARJIISILTJGQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The IUPAC name of 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol (CID 71933008) is 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol is Cc1ccc(C(C)(O)CNC2CCCN(c3cccnn3)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The InChIKey is PRARJIISILTJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-7-9-16(10-8-15)19(2,24)14-20-17-5-4-12-23(13-17)18-6-3-11-21-22-18/h3,6-11,17,20,24H,4-5,12-14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 71933008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).