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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Related Compounds

2-(2-chlorophenoxy)-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058388
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133391003
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365263
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]phenol
CID 71083472
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 90872781

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).