(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol

C26H37N3O3 — CID 86657806

IUPAC(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol
SMILESCCCCc1nnc(OC[C@@H]2CNCC[C@H]2O)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H37N3O3/c1-2-3-9-24-23(16-26(29-28-24)31-18-20-17-27-15-14-25(20)30)19-10-12-22(13-11-19)32-21-7-5-4-6-8-21/h10-13,16,20-21,25,27,30H,2-9,14-15,17-18H2,1H3/t20-,25+/m0/s1
InChIKeyAFQRMLGDAIERGE-NBGIEHNGSA-N
MW439.60 g/mol
LogP4.55
Rot. Bonds9

About (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol

(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol (PubChem CID 86657806) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol
PubChem CID86657806
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol
SMILESCCCCc1nnc(OC[C@@H]2CNCC[C@H]2O)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C26H37N3O3/c1-2-3-9-24-23(16-26(29-28-24)31-18-20-17-27-15-14-25(20)30)19-10-12-22(13-11-19)32-21-7-5-4-6-8-21/h10-13,16,20-21,25,27,30H,2-9,14-15,17-18H2,1H3/t20-,25+/m0/s1
InChIKeyAFQRMLGDAIERGE-NBGIEHNGSA-N
XLogP4.55
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

3-butyl-4-(4-cyclohexyloxyphenyl)-6-[[(3R,4S)-3-methoxypiperidin-4-yl]methoxy]pyridazine
CID 67375121
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3-methoxypiperidin-4-yl)methoxy]pyridazine
CID 67375119
4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-1-methylpiperidin-3-ol;dihydrochloride
CID 67374764
bis(3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoropiperidin-3-yl)methoxy]pyridazine);dihydrochloride
CID 173066713
(3S,6R)-3-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-ol;dihydrochloride
CID 67387313
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
CID 67373246
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
tert-butyl (3S,4R)-4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657787
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
1-[5-(3-butyl-6-piperidin-4-yloxypyridazin-4-yl)-2-cyclohexyloxyphenyl]ethanone;dihydrochloride
CID 67387518
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-3-yl)methyl]pyridazine-3-carboxamide
CID 58438430

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol?
The IUPAC name of (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol (CID 86657806) is (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol is CCCCc1nnc(OC[C@@H]2CNCC[C@H]2O)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol?
The InChIKey is AFQRMLGDAIERGE-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-2-3-9-24-23(16-26(29-28-24)31-18-20-17-27-15-14-25(20)30)19-10-12-22(13-11-19)32-21-7-5-4-6-8-21/h10-13,16,20-21,25,27,30H,2-9,14-15,17-18H2,1H3/t20-,25+/m0/s1.
What are the key properties of (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol?
(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol has a molecular weight of 439.60 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol is sourced from PubChem (CID 86657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).