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

C19H26N4O — CID 134705653

IUPAC[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCNc1ccc(-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)
InChIKeyOGDPJVKNOJASTR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds7

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

[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 134705653) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID134705653
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCCNc1ccc(-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)
InChIKeyOGDPJVKNOJASTR-UHFFFAOYSA-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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Related Compounds

6-phenyl-N-[(1-prop-2-ynylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 143575918
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 119128697
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805
[1-[3-[(6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]propyl]piperidin-2-yl]methanol
CID 176504271
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
CID 56852816
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol (CID 134705653) is [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol is OCC1CCCCN1CCCNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is OGDPJVKNOJASTR-UHFFFAOYSA-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).
What are the key properties of [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol?
[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 [1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 134705653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).