3-bromo-1,5-dimethylpiperidine

C7H14BrN — CID 130961485

IUPAC3-bromo-1,5-dimethylpiperidine
SMILESCC1CC(Br)CN(C)C1
InChIInChI=1S/C7H14BrN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3
InChIKeyLIAVYXJCNZMIKQ-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.72
Rot. Bonds

About 3-bromo-1,5-dimethylpiperidine

3-bromo-1,5-dimethylpiperidine (PubChem CID 130961485) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 3-bromo-1,5-dimethylpiperidine.

Molecular Properties

Compound Name3-bromo-1,5-dimethylpiperidine
PubChem CID130961485
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name3-bromo-1,5-dimethylpiperidine
SMILESCC1CC(Br)CN(C)C1
InChIInChI=1S/C7H14BrN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3
InChIKeyLIAVYXJCNZMIKQ-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.72
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

3-bromo-1-methylazetidine
CID 164545813
(3S)-3-fluoro-1,5-dimethylpiperidine
CID 177326802
(5S)-N,1,5-trimethylpiperidin-3-amine
CID 174025014
1-bromo-3-methylcyclobutane
CID 14372773
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
3-methoxy-1,5-dimethylpiperidine
CID 91354992
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
bis(1,3-dimethylazetidine);3-methyloxetane
CID 158498308
1-(1,5-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 123843999
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
(3R,5S)-1,3-dimethyl-5-phenylpiperidine
CID 134927538
(5R)-1,3-dimethyl-5-phenylpiperidine
CID 166738745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,5-dimethylpiperidine?
The IUPAC name of 3-bromo-1,5-dimethylpiperidine (CID 130961485) is 3-bromo-1,5-dimethylpiperidine.
What is the SMILES notation for 3-bromo-1,5-dimethylpiperidine?
The canonical SMILES for 3-bromo-1,5-dimethylpiperidine is CC1CC(Br)CN(C)C1.
What is the InChIKey of 3-bromo-1,5-dimethylpiperidine?
The InChIKey is LIAVYXJCNZMIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-6-3-7(8)5-9(2)4-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-bromo-1,5-dimethylpiperidine?
3-bromo-1,5-dimethylpiperidine has a molecular weight of 192.10 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,5-dimethylpiperidine is sourced from PubChem (CID 130961485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).