(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate

C18H28N2O5 — CID 89234746

IUPAC(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCOc1cc(COC(=O)N2C(C)CCCC2C)c(N)c(OC)c1OC
InChIInChI=1S/C18H28N2O5/c1-11-7-6-8-12(2)20(11)18(21)25-10-13-9-14(22-3)16(23-4)17(24-5)15(13)19/h9,11-12H,6-8,10,19H2,1-5H3
InChIKeyFXNNPAQWYKLTOX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.19
Rot. Bonds5

About (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate

(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate (PubChem CID 89234746) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
PubChem CID89234746
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCOc1cc(COC(=O)N2C(C)CCCC2C)c(N)c(OC)c1OC
InChIInChI=1S/C18H28N2O5/c1-11-7-6-8-12(2)20(11)18(21)25-10-13-9-14(22-3)16(23-4)17(24-5)15(13)19/h9,11-12H,6-8,10,19H2,1-5H3
InChIKeyFXNNPAQWYKLTOX-UHFFFAOYSA-N
XLogP3.19
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate (CID 89234746) is (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate is COc1cc(COC(=O)N2C(C)CCCC2C)c(N)c(OC)c1OC.
What is the InChIKey of (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is FXNNPAQWYKLTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-11-7-6-8-12(2)20(11)18(21)25-10-13-9-14(22-3)16(23-4)17(24-5)15(13)19/h9,11-12H,6-8,10,19H2,1-5H3.
What are the key properties of (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
(2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,4,5-trimethoxyphenyl)methyl 2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 89234746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).