4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide

C15H26N2O3Pd — CID 173226111

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide
SMILESCOc1ccc(N)cc1C1CCN(C(C)C)CC1.[OH-].[OH-].[Pd+2]
InChIInChI=1S/C15H24N2O.2H2O.Pd/c1-11(2)17-8-6-12(7-9-17)14-10-13(16)4-5-15(14)18-3;;;/h4-5,10-12H,6-9,16H2,1-3H3;2*1H2;/q;;;+2/p-2
InChIKeyJSSNSRKZFFEPAH-UHFFFAOYSA-L
MW388.80 g/mol
LogP2.51
Rot. Bonds3

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide (PubChem CID 173226111) has the molecular formula C15H26N2O3Pd and a molecular weight of 388.80 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide
PubChem CID173226111
Molecular FormulaC15H26N2O3Pd
Molecular Weight388.80 g/mol
Exact Mass388.10
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide
SMILESCOc1ccc(N)cc1C1CCN(C(C)C)CC1.[OH-].[OH-].[Pd+2]
InChIInChI=1S/C15H24N2O.2H2O.Pd/c1-11(2)17-8-6-12(7-9-17)14-10-13(16)4-5-15(14)18-3;;;/h4-5,10-12H,6-9,16H2,1-3H3;2*1H2;/q;;;+2/p-2
InChIKeyJSSNSRKZFFEPAH-UHFFFAOYSA-L
XLogP2.51
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide (CID 173226111) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide is COc1ccc(N)cc1C1CCN(C(C)C)CC1.[OH-].[OH-].[Pd+2].
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide?
The InChIKey is JSSNSRKZFFEPAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H24N2O.2H2O.Pd/c1-11(2)17-8-6-12(7-9-17)14-10-13(16)4-5-15(14)18-3;;;/h4-5,10-12H,6-9,16H2,1-3H3;2*1H2;/q;;;+2/p-2.
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide has a molecular weight of 388.80 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide is sourced from PubChem (CID 173226111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).