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

C21H25N5O — CID 56744944

IUPAC1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol
SMILESCn1ccnc1-c1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H25N5O/c1-25-14-11-22-21(25)18-7-8-20(24-23-18)26-12-9-17(10-13-26)19(27)15-16-5-3-2-4-6-16/h2-8,11,14,17,19,27H,9-10,12-13,15H2,1H3
InChIKeyFVUCGJMEZYGDGC-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.70
Rot. Bonds5

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

1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol (PubChem CID 56744944) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol
PubChem CID56744944
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol
SMILESCn1ccnc1-c1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H25N5O/c1-25-14-11-22-21(25)18-7-8-20(24-23-18)26-12-9-17(10-13-26)19(27)15-16-5-3-2-4-6-16/h2-8,11,14,17,19,27H,9-10,12-13,15H2,1H3
InChIKeyFVUCGJMEZYGDGC-UHFFFAOYSA-N
XLogP2.70
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol (CID 56744944) is 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol is Cn1ccnc1-c1ccc(N2CCC(C(O)Cc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol?
The InChIKey is FVUCGJMEZYGDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-14-11-22-21(25)18-7-8-20(24-23-18)26-12-9-17(10-13-26)19(27)15-16-5-3-2-4-6-16/h2-8,11,14,17,19,27H,9-10,12-13,15H2,1H3.
What are the key properties of 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol?
1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol has a molecular weight of 363.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 56744944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).