3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine

C20H19ClN4O — CID 16733177

IUPAC3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
SMILESClc1ccccc1OC1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-5-1-2-6-19(17)26-16-9-12-25(13-10-16)20-8-7-18(23-24-20)15-4-3-11-22-14-15/h1-8,11,14,16H,9-10,12-13H2
InChIKeyQPEWVCULAWVFEU-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.24
Rot. Bonds4

About 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine

3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine (PubChem CID 16733177) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
PubChem CID16733177
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
SMILESClc1ccccc1OC1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C20H19ClN4O/c21-17-5-1-2-6-19(17)26-16-9-12-25(13-10-16)20-8-7-18(23-24-20)15-4-3-11-22-14-15/h1-8,11,14,16H,9-10,12-13H2
InChIKeyQPEWVCULAWVFEU-UHFFFAOYSA-N
XLogP4.24
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine (CID 16733177) is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine is Clc1ccccc1OC1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine?
The InChIKey is QPEWVCULAWVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-5-1-2-6-19(17)26-16-9-12-25(13-10-16)20-8-7-18(23-24-20)15-4-3-11-22-14-15/h1-8,11,14,16H,9-10,12-13H2.
What are the key properties of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine?
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine has a molecular weight of 366.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 16733177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).