[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone

C18H21N3O2 — CID 90650108

IUPAC[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C18H21N3O2/c22-17-8-5-14(6-9-17)4-7-16-3-1-2-12-21(16)18(23)15-10-11-19-20-13-15/h5-6,8-11,13,16,22H,1-4,7,12H2
InChIKeyFDRHFMUTUMLRKM-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.81
Rot. Bonds4

About [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone

[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 90650108) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID90650108
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C18H21N3O2/c22-17-8-5-14(6-9-17)4-7-16-3-1-2-12-21(16)18(23)15-10-11-19-20-13-15/h5-6,8-11,13,16,22H,1-4,7,12H2
InChIKeyFDRHFMUTUMLRKM-UHFFFAOYSA-N
XLogP2.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone (CID 90650108) is [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is FDRHFMUTUMLRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-8-5-14(6-9-17)4-7-16-3-1-2-12-21(16)18(23)15-10-11-19-20-13-15/h5-6,8-11,13,16,22H,1-4,7,12H2.
What are the key properties of [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 90650108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).