3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine

C19H24ClN3O — CID 143841531

IUPAC3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
SMILESCC1CCCCN1CCCOc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H24ClN3O/c1-15-5-2-3-12-23(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(20)22-21-18/h6-11,15H,2-5,12-14H2,1H3
InChIKeyKAQIBOIDTJVGPP-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.44
Rot. Bonds6

About 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine

3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine (PubChem CID 143841531) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
PubChem CID143841531
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
SMILESCC1CCCCN1CCCOc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H24ClN3O/c1-15-5-2-3-12-23(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(20)22-21-18/h6-11,15H,2-5,12-14H2,1H3
InChIKeyKAQIBOIDTJVGPP-UHFFFAOYSA-N
XLogP4.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine
CID 66630475
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
4-chloro-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 74940813
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
3-[difluoro-(2-fluoro-4-methylphenyl)methoxy]-6-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
CID 90097875
3-chloro-6-[4-[1-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyridazine
CID 87577930
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine (CID 143841531) is 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine is CC1CCCCN1CCCOc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine?
The InChIKey is KAQIBOIDTJVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-15-5-2-3-12-23(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(20)22-21-18/h6-11,15H,2-5,12-14H2,1H3.
What are the key properties of 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine?
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine has a molecular weight of 345.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine is sourced from PubChem (CID 143841531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).