ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate

C14H21N3O2 — CID 129498668

IUPACethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nn1
InChIInChI=1S/C14H21N3O2/c1-4-19-14(18)12-5-6-13(16-15-12)17-8-10(2)7-11(3)9-17/h5-6,10-11H,4,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyVIZJCLJIIYYHFX-GHMZBOCLSA-N
MW263.34 g/mol
LogP2.14
Rot. Bonds3

About ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate

ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate (PubChem CID 129498668) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
PubChem CID129498668
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nn1
InChIInChI=1S/C14H21N3O2/c1-4-19-14(18)12-5-6-13(16-15-12)17-8-10(2)7-11(3)9-17/h5-6,10-11H,4,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyVIZJCLJIIYYHFX-GHMZBOCLSA-N
XLogP2.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate
CID 102935159
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate (CID 129498668) is ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate is CCOC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)nn1.
What is the InChIKey of ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is VIZJCLJIIYYHFX-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-19-14(18)12-5-6-13(16-15-12)17-8-10(2)7-11(3)9-17/h5-6,10-11H,4,7-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate?
ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 129498668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).