3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

C19H20Cl2N4O — CID 133363071

IUPAC3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c1C
InChIInChI=1S/C19H20Cl2N4O/c1-12-13(2)23-24-19(16(12)10-22)25-7-5-15(6-8-25)26-11-14-3-4-17(20)18(21)9-14/h3-4,9,15H,5-8,11H2,1-2H3
InChIKeyDQCLIZVXMYBVBS-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.46
Rot. Bonds4

About 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133363071) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133363071
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c1C
InChIInChI=1S/C19H20Cl2N4O/c1-12-13(2)23-24-19(16(12)10-22)25-7-5-15(6-8-25)26-11-14-3-4-17(20)18(21)9-14/h3-4,9,15H,5-8,11H2,1-2H3
InChIKeyDQCLIZVXMYBVBS-UHFFFAOYSA-N
XLogP4.46
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[4-(2-phenylethoxy)piperidin-1-yl]pyridazine-4-carbonitrile
CID 56820781
3-chloro-5-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133363067
3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133363047
3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279897
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279898
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401
3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279735
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279903
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089496

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 133363071) is 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c1C.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is DQCLIZVXMYBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-12-13(2)23-24-19(16(12)10-22)25-7-5-15(6-8-25)26-11-14-3-4-17(20)18(21)9-14/h3-4,9,15H,5-8,11H2,1-2H3.
What are the key properties of 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 391.30 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133363071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).