[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol

C19H26N4O — CID 171359933

IUPAC[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c24-15-17-9-4-5-13-23(17)14-6-12-20-19-11-10-18(21-22-19)16-7-2-1-3-8-16/h1-3,7-8,10-11,17,24H,4-6,9,12-15H2,(H,20,22)/t17-/m1/s1
InChIKeyOGDPJVKNOJASTR-QGZVFWFLSA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds7

About [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol

[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 171359933) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID171359933
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCCNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c24-15-17-9-4-5-13-23(17)14-6-12-20-19-11-10-18(21-22-19)16-7-2-1-3-8-16/h1-3,7-8,10-11,17,24H,4-6,9,12-15H2,(H,20,22)/t17-/m1/s1
InChIKeyOGDPJVKNOJASTR-QGZVFWFLSA-N
XLogP2.79
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol (CID 171359933) is [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CCCNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is OGDPJVKNOJASTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O/c24-15-17-9-4-5-13-23(17)14-6-12-20-19-11-10-18(21-22-19)16-7-2-1-3-8-16/h1-3,7-8,10-11,17,24H,4-6,9,12-15H2,(H,20,22)/t17-/m1/s1.
What are the key properties of [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 171359933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).