4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine

C11H22BrN — CID 126979272

IUPAC4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(Br)C(C)(C)C1
InChIInChI=1S/C11H22BrN/c1-9(2)7-13-6-5-10(12)11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeyYBYNODZDEZVIHC-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds2

About 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine

4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine (PubChem CID 126979272) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine
PubChem CID126979272
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(Br)C(C)(C)C1
InChIInChI=1S/C11H22BrN/c1-9(2)7-13-6-5-10(12)11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeyYBYNODZDEZVIHC-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

(3S,4S)-3-fluoro-3-methyl-1-(2-methylpropyl)piperidin-4-ol
CID 176977070
3,3-dimethyl-1-(2-methylpropyl)piperazine
CID 64832836
4,4-dimethyl-1-(2-methylpropyl)pyrrolidin-3-amine
CID 131010662
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
[2-methyl-4-(2-methylpropyl)piperazin-2-yl]methanol
CID 59603526
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
1-(1-benzothiophen-3-ylmethyl)-4-bromo-3,3-dimethylpiperidine
CID 112747313
1-(2-methylpropyl)-N-(methylsulfamoyl)piperidin-4-amine
CID 174864590
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine (CID 126979272) is 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(Br)C(C)(C)C1.
What is the InChIKey of 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine?
The InChIKey is YBYNODZDEZVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-9(2)7-13-6-5-10(12)11(3,4)8-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine?
4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3-dimethyl-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 126979272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).