1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol

C26H32N4O2 — CID 122184695

IUPAC1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2
InChIKeyMJYOVAQKEPMTHM-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.06
Rot. Bonds10

About 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol

1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol (PubChem CID 122184695) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol
PubChem CID122184695
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2
InChIKeyMJYOVAQKEPMTHM-UHFFFAOYSA-N
XLogP4.06
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol (CID 122184695) is 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1.
What is the InChIKey of 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol?
The InChIKey is MJYOVAQKEPMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2.
What are the key properties of 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol?
1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol has a molecular weight of 432.57 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(6-phenylmethoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 122184695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).