3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine

C17H20ClN3OS — CID 133390580

IUPAC3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(N2CCCC(COc3ccccc3Cl)C2)nn1
InChIInChI=1S/C17H20ClN3OS/c1-23-17-9-8-16(19-20-17)21-10-4-5-13(11-21)12-22-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyLGFXDQCLJZPHMO-UHFFFAOYSA-N
MW349.89 g/mol
LogP4.15
Rot. Bonds5

About 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine

3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine (PubChem CID 133390580) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
PubChem CID133390580
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(N2CCCC(COc3ccccc3Cl)C2)nn1
InChIInChI=1S/C17H20ClN3OS/c1-23-17-9-8-16(19-20-17)21-10-4-5-13(11-21)12-22-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3
InChIKeyLGFXDQCLJZPHMO-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
3-methylsulfanyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridazine
CID 133349542
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
4-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133390610
(3S)-3-[(2-chlorophenoxy)methyl]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 99790678
6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
CID 99857964
(2R)-N-carbamoyl-2-[(3S)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]propanamide
CID 124592872
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
6-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyrimidine-2,4-diamine
CID 72914782
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
(3R)-1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-3-amine
CID 95361082

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine?
The IUPAC name of 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine (CID 133390580) is 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine?
The canonical SMILES for 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine is CSc1ccc(N2CCCC(COc3ccccc3Cl)C2)nn1.
What is the InChIKey of 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine?
The InChIKey is LGFXDQCLJZPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-23-17-9-8-16(19-20-17)21-10-4-5-13(11-21)12-22-15-7-3-2-6-14(15)18/h2-3,6-9,13H,4-5,10-12H2,1H3.
What are the key properties of 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine?
3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine has a molecular weight of 349.89 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-6-methylsulfanylpyridazine is sourced from PubChem (CID 133390580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).