1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine

C20H31NO2 — CID 66727107

IUPAC1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2COc3cc(C(C)(C)C)ccc3O2)C1
InChIInChI=1S/C20H31NO2/c1-14-8-15(2)11-21(10-14)12-17-13-22-19-9-16(20(3,4)5)6-7-18(19)23-17/h6-7,9,14-15,17H,8,10-13H2,1-5H3
InChIKeyQOMDYOOLOFJEKA-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.10
Rot. Bonds2

About 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine

1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine (PubChem CID 66727107) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine
PubChem CID66727107
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2COc3cc(C(C)(C)C)ccc3O2)C1
InChIInChI=1S/C20H31NO2/c1-14-8-15(2)11-21(10-14)12-17-13-22-19-9-16(20(3,4)5)6-7-18(19)23-17/h6-7,9,14-15,17H,8,10-13H2,1-5H3
InChIKeyQOMDYOOLOFJEKA-UHFFFAOYSA-N
XLogP4.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine (CID 66727107) is 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CC2COc3cc(C(C)(C)C)ccc3O2)C1.
What is the InChIKey of 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine?
The InChIKey is QOMDYOOLOFJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-14-8-15(2)11-21(10-14)12-17-13-22-19-9-16(20(3,4)5)6-7-18(19)23-17/h6-7,9,14-15,17H,8,10-13H2,1-5H3.
What are the key properties of 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine?
1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine has a molecular weight of 317.47 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 66727107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).