(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

C15H26BrNO2 — CID 112747394

IUPAC(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC(Br)C(C)(C)C2)C1C
InChIInChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)13(9)14(18)17-7-6-12(16)15(4,5)8-17/h9-13H,6-8H2,1-5H3
InChIKeyHVRMQBMCJVDASB-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.07
Rot. Bonds1

About (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 112747394) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID112747394
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC Name(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)N2CCC(Br)C(C)(C)C2)C1C
InChIInChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)13(9)14(18)17-7-6-12(16)15(4,5)8-17/h9-13H,6-8H2,1-5H3
InChIKeyHVRMQBMCJVDASB-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 112747394) is (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)N2CCC(Br)C(C)(C)C2)C1C.
What is the InChIKey of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is HVRMQBMCJVDASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c1-9-10(2)19-11(3)13(9)14(18)17-7-6-12(16)15(4,5)8-17/h9-13H,6-8H2,1-5H3.
What are the key properties of (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 332.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,3-dimethylpiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 112747394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).