1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine

C20H33NO4 — CID 166218650

IUPAC1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine
SMILESCOc1cc(OC)c(C2CCN(CCC(C)(C)OC)CC2)c(OC)c1
InChIInChI=1S/C20H33NO4/c1-20(2,25-6)9-12-21-10-7-15(8-11-21)19-17(23-4)13-16(22-3)14-18(19)24-5/h13-15H,7-12H2,1-6H3
InChIKeyFAXXBHXIMHTQDA-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.71
Rot. Bonds8

About 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine

1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine (PubChem CID 166218650) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine
PubChem CID166218650
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine
SMILESCOc1cc(OC)c(C2CCN(CCC(C)(C)OC)CC2)c(OC)c1
InChIInChI=1S/C20H33NO4/c1-20(2,25-6)9-12-21-10-7-15(8-11-21)19-17(23-4)13-16(22-3)14-18(19)24-5/h13-15H,7-12H2,1-6H3
InChIKeyFAXXBHXIMHTQDA-UHFFFAOYSA-N
XLogP3.71
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine (CID 166218650) is 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine is COc1cc(OC)c(C2CCN(CCC(C)(C)OC)CC2)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine?
The InChIKey is FAXXBHXIMHTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-20(2,25-6)9-12-21-10-7-15(8-11-21)19-17(23-4)13-16(22-3)14-18(19)24-5/h13-15H,7-12H2,1-6H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine?
1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine has a molecular weight of 351.49 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-4-(2,4,6-trimethoxyphenyl)piperidine is sourced from PubChem (CID 166218650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).