4-bromo-3-methyl-1-(3-methylbutyl)piperidine

C11H22BrN — CID 114682410

IUPAC4-bromo-3-methyl-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(Br)C(C)C1
InChIInChI=1S/C11H22BrN/c1-9(2)4-6-13-7-5-11(12)10(3)8-13/h9-11H,4-8H2,1-3H3
InChIKeyIIIOSRUZQNZZHK-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds3

About 4-bromo-3-methyl-1-(3-methylbutyl)piperidine

4-bromo-3-methyl-1-(3-methylbutyl)piperidine (PubChem CID 114682410) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(3-methylbutyl)piperidine
PubChem CID114682410
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name4-bromo-3-methyl-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(Br)C(C)C1
InChIInChI=1S/C11H22BrN/c1-9(2)4-6-13-7-5-11(12)10(3)8-13/h9-11H,4-8H2,1-3H3
InChIKeyIIIOSRUZQNZZHK-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

4-bromo-3-methyl-1-(4-methylpentyl)piperidine
CID 114682378
3-bromo-1-(3-methylbutyl)pyrrolidine
CID 80676511
4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
CID 106457883
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
3-iodo-1-(3-methylbutyl)pyrrolidine
CID 126716401
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylpiperidine
CID 114682409
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
4-bromo-1-(cyclohexylmethyl)-3-methylpiperidine
CID 114682450
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
4-bromo-3-methyl-1-[4-(oxan-4-yl)butyl]piperidine
CID 114192677
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(3-methylbutyl)piperidine?
The IUPAC name of 4-bromo-3-methyl-1-(3-methylbutyl)piperidine (CID 114682410) is 4-bromo-3-methyl-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-bromo-3-methyl-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4-bromo-3-methyl-1-(3-methylbutyl)piperidine is CC(C)CCN1CCC(Br)C(C)C1.
What is the InChIKey of 4-bromo-3-methyl-1-(3-methylbutyl)piperidine?
The InChIKey is IIIOSRUZQNZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-9(2)4-6-13-7-5-11(12)10(3)8-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-1-(3-methylbutyl)piperidine?
4-bromo-3-methyl-1-(3-methylbutyl)piperidine 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 4-bromo-3-methyl-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 114682410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).