3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine

C16H20ClN3 — CID 146576990

IUPAC3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CCC(c2ccc(N3CCCCC3)c(Cl)c2)=NN1
InChIInChI=1S/C16H20ClN3/c1-12-5-7-15(19-18-12)13-6-8-16(14(17)11-13)20-9-3-2-4-10-20/h6,8,11,18H,1-5,7,9-10H2
InChIKeyNYJSTVDGGDMFMG-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.93
Rot. Bonds2

About 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine

3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine (PubChem CID 146576990) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine.

Molecular Properties

Compound Name3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine
PubChem CID146576990
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine
SMILESC=C1CCC(c2ccc(N3CCCCC3)c(Cl)c2)=NN1
InChIInChI=1S/C16H20ClN3/c1-12-5-7-15(19-18-12)13-6-8-16(14(17)11-13)20-9-3-2-4-10-20/h6,8,11,18H,1-5,7,9-10H2
InChIKeyNYJSTVDGGDMFMG-UHFFFAOYSA-N
XLogP3.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 118894240
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
3-[4-(3-chloro-4-fluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463297
2-(6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-propan-2-yl-5-pyridin-4-ylaniline
CID 59432750
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967
3-chloro-4-piperidin-1-ylbenzenecarbothioamide
CID 63087102
5-chloro-6-piperidin-1-yl-2H-benzimidazole
CID 10585861

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine?
The IUPAC name of 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine (CID 146576990) is 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine.
What is the SMILES notation for 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine?
The canonical SMILES for 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine is C=C1CCC(c2ccc(N3CCCCC3)c(Cl)c2)=NN1.
What is the InChIKey of 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine?
The InChIKey is NYJSTVDGGDMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-5-7-15(19-18-12)13-6-8-16(14(17)11-13)20-9-3-2-4-10-20/h6,8,11,18H,1-5,7,9-10H2.
What are the key properties of 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine?
3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine has a molecular weight of 289.81 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-piperidin-1-ylphenyl)-6-methylidene-4,5-dihydro-1H-pyridazine is sourced from PubChem (CID 146576990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).