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

C22H27N5O — CID 56759598

IUPAC[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCCC(CO)(CCc3ccccc3)C2)nn1
InChIInChI=1S/C22H27N5O/c1-26-15-13-23-21(26)19-8-9-20(25-24-19)27-14-5-11-22(16-27,17-28)12-10-18-6-3-2-4-7-18/h2-4,6-9,13,15,28H,5,10-12,14,16-17H2,1H3
InChIKeyCHTDGGSWHNFBDX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.09
Rot. Bonds6

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

[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 56759598) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID56759598
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCCC(CO)(CCc3ccccc3)C2)nn1
InChIInChI=1S/C22H27N5O/c1-26-15-13-23-21(26)19-8-9-20(25-24-19)27-14-5-11-22(16-27,17-28)12-10-18-6-3-2-4-7-18/h2-4,6-9,13,15,28H,5,10-12,14,16-17H2,1H3
InChIKeyCHTDGGSWHNFBDX-UHFFFAOYSA-N
XLogP3.09
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 56759598) is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol is Cn1ccnc1-c1ccc(N2CCCC(CO)(CCc3ccccc3)C2)nn1.
What is the InChIKey of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is CHTDGGSWHNFBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-26-15-13-23-21(26)19-8-9-20(25-24-19)27-14-5-11-22(16-27,17-28)12-10-18-6-3-2-4-7-18/h2-4,6-9,13,15,28H,5,10-12,14,16-17H2,1H3.
What are the key properties of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 377.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56759598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).