[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

C22H27N5O2 — CID 56759030

IUPAC[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3
InChIKeyCPBWVWVPSYMOAS-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.93
Rot. Bonds7

About [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 56759030) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID56759030
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3
InChIKeyCPBWVWVPSYMOAS-UHFFFAOYSA-N
XLogP2.93
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 56759030) is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is Cn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1.
What is the InChIKey of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is CPBWVWVPSYMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3.
What are the key properties of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 393.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56759030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).