2-(3-bromo-2-methylpropyl)piperidine

C9H18BrN — CID 134926886

IUPAC2-(3-bromo-2-methylpropyl)piperidine
SMILESCC(CBr)CC1CCCCN1
InChIInChI=1S/C9H18BrN/c1-8(7-10)6-9-4-2-3-5-11-9/h8-9,11H,2-7H2,1H3
InChIKeyACLQDQPCWSGSIO-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-bromo-2-methylpropyl)piperidine

2-(3-bromo-2-methylpropyl)piperidine (PubChem CID 134926886) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropyl)piperidine
PubChem CID134926886
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name2-(3-bromo-2-methylpropyl)piperidine
SMILESCC(CBr)CC1CCCCN1
InChIInChI=1S/C9H18BrN/c1-8(7-10)6-9-4-2-3-5-11-9/h8-9,11H,2-7H2,1H3
InChIKeyACLQDQPCWSGSIO-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpropyl)piperidine?
The IUPAC name of 2-(3-bromo-2-methylpropyl)piperidine (CID 134926886) is 2-(3-bromo-2-methylpropyl)piperidine.
What is the SMILES notation for 2-(3-bromo-2-methylpropyl)piperidine?
The canonical SMILES for 2-(3-bromo-2-methylpropyl)piperidine is CC(CBr)CC1CCCCN1.
What is the InChIKey of 2-(3-bromo-2-methylpropyl)piperidine?
The InChIKey is ACLQDQPCWSGSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN/c1-8(7-10)6-9-4-2-3-5-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(3-bromo-2-methylpropyl)piperidine?
2-(3-bromo-2-methylpropyl)piperidine has a molecular weight of 220.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropyl)piperidine is sourced from PubChem (CID 134926886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).