3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine

C20H29Cl3N6O2 — CID 160537616

IUPAC3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine
SMILESCOC1CCN(c2ccc(Cl)nn2)CC1.COC1CCNCC1.Clc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O.C6H13NO.C4H2Cl2N2/c1-15-8-4-6-14(7-5-8)10-3-2-9(11)12-13-10;1-8-6-2-4-7-5-3-6;5-3-1-2-4(6)8-7-3/h2-3,8H,4-7H2,1H3;6-7H,2-5H2,1H3;1-2H
InChIKeyQWJBKYNEMQRVIR-UHFFFAOYSA-N
MW491.85 g/mol
LogP3.91
Rot. Bonds3

About 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine

3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine (PubChem CID 160537616) has the molecular formula C20H29Cl3N6O2 and a molecular weight of 491.85 g/mol. Its IUPAC name is 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine.

Molecular Properties

Compound Name3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine
PubChem CID160537616
Molecular FormulaC20H29Cl3N6O2
Molecular Weight491.85 g/mol
Exact Mass490.14
IUPAC Name3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine
SMILESCOC1CCN(c2ccc(Cl)nn2)CC1.COC1CCNCC1.Clc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O.C6H13NO.C4H2Cl2N2/c1-15-8-4-6-14(7-5-8)10-3-2-9(11)12-13-10;1-8-6-2-4-7-5-3-6;5-3-1-2-4(6)8-7-3/h2-3,8H,4-7H2,1H3;6-7H,2-5H2,1H3;1-2H
InChIKeyQWJBKYNEMQRVIR-UHFFFAOYSA-N
XLogP3.91
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine?
The IUPAC name of 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine (CID 160537616) is 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine.
What is the SMILES notation for 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine?
The canonical SMILES for 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine is COC1CCN(c2ccc(Cl)nn2)CC1.COC1CCNCC1.Clc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine?
The InChIKey is QWJBKYNEMQRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O.C6H13NO.C4H2Cl2N2/c1-15-8-4-6-14(7-5-8)10-3-2-9(11)12-13-10;1-8-6-2-4-7-5-3-6;5-3-1-2-4(6)8-7-3/h2-3,8H,4-7H2,1H3;6-7H,2-5H2,1H3;1-2H.
What are the key properties of 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine?
3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine has a molecular weight of 491.85 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methoxypiperidin-1-yl)pyridazine;3,6-dichloropyridazine;4-methoxypiperidine is sourced from PubChem (CID 160537616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).