4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline

C15H24N2O2 — CID 82183629

IUPAC4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)c(CN2CCC(C)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-4-6-17(7-5-11)10-12-8-14(18-2)15(19-3)9-13(12)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyRZUMGILBZARINF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.52
Rot. Bonds4

About 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline

4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline (PubChem CID 82183629) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
PubChem CID82183629
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
SMILESCOc1cc(N)c(CN2CCC(C)CC2)cc1OC
InChIInChI=1S/C15H24N2O2/c1-11-4-6-17(7-5-11)10-12-8-14(18-2)15(19-3)9-13(12)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyRZUMGILBZARINF-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline (CID 82183629) is 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline is COc1cc(N)c(CN2CCC(C)CC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is RZUMGILBZARINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-4-6-17(7-5-11)10-12-8-14(18-2)15(19-3)9-13(12)16/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline?
4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 82183629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).