1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one

C11H20BrNO — CID 65012384

IUPAC1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
SMILESCC(C)C(CBr)CN1CCCCC1=O
InChIInChI=1S/C11H20BrNO/c1-9(2)10(7-12)8-13-6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3
InChIKeyWADAJLVEHPNZIF-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one

1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one (PubChem CID 65012384) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
PubChem CID65012384
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
SMILESCC(C)C(CBr)CN1CCCCC1=O
InChIInChI=1S/C11H20BrNO/c1-9(2)10(7-12)8-13-6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3
InChIKeyWADAJLVEHPNZIF-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-one
CID 65014980
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
CID 143141942
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
1-[2-(bromomethyl)-3-methylbutyl]-4-propan-2-ylpiperazine-2,3-dione
CID 113463099
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
1-[2-(bromomethyl)-3-methylbutyl]-4-methylpyrrolidin-2-one
CID 65011811
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
2-methyl-3-(2-oxoazocan-1-yl)propanethioamide
CID 43175041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one?
The IUPAC name of 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one (CID 65012384) is 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one?
The canonical SMILES for 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one is CC(C)C(CBr)CN1CCCCC1=O.
What is the InChIKey of 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one?
The InChIKey is WADAJLVEHPNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-9(2)10(7-12)8-13-6-4-3-5-11(13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one?
1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one has a molecular weight of 262.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one is sourced from PubChem (CID 65012384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).