1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine

C11H22BrN — CID 64999964

IUPAC1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(CC(C)(C)CBr)CC1
InChIInChI=1S/C11H22BrN/c1-10-4-6-13(7-5-10)9-11(2,3)8-12/h10H,4-9H2,1-3H3
InChIKeyIMIDNUBKWPAHBM-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine

1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine (PubChem CID 64999964) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
PubChem CID64999964
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCN(CC(C)(C)CBr)CC1
InChIInChI=1S/C11H22BrN/c1-10-4-6-13(7-5-10)9-11(2,3)8-12/h10H,4-9H2,1-3H3
InChIKeyIMIDNUBKWPAHBM-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
CID 65000596
3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol
CID 106146060
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
[2-methyl-1-(4-methylpiperidin-1-yl)propan-2-yl]-λ2-stannane
CID 174710196
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)-4-methylpiperidine
CID 157215210
1-[4-(3-bromo-2,2-dimethylpropyl)piperazin-1-yl]ethanone
CID 65000467
ethane;1-ethyl-4-methylpiperidine
CID 143737046
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine (CID 64999964) is 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine is CC1CCN(CC(C)(C)CBr)CC1.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine?
The InChIKey is IMIDNUBKWPAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-10-4-6-13(7-5-10)9-11(2,3)8-12/h10H,4-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine?
1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine is sourced from PubChem (CID 64999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).