2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C14H25BrN2O2 — CID 114328262

IUPAC2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(Br)C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H25BrN2O2/c1-14(2,15)13(18)17-5-3-12(4-6-17)11-16-7-9-19-10-8-16/h12H,3-11H2,1-2H3
InChIKeyKJRDVZAENSBSPV-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.73
Rot. Bonds3

About 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 114328262) has the molecular formula C14H25BrN2O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID114328262
Molecular FormulaC14H25BrN2O2
Molecular Weight333.27 g/mol
Exact Mass332.11
IUPAC Name2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(Br)C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H25BrN2O2/c1-14(2,15)13(18)17-5-3-12(4-6-17)11-16-7-9-19-10-8-16/h12H,3-11H2,1-2H3
InChIKeyKJRDVZAENSBSPV-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 114328262) is 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is CC(C)(Br)C(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is KJRDVZAENSBSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O2/c1-14(2,15)13(18)17-5-3-12(4-6-17)11-16-7-9-19-10-8-16/h12H,3-11H2,1-2H3.
What are the key properties of 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 333.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 114328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).