4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine

C11H22BrNO — CID 106457766

IUPAC4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(Br)CC1
InChIInChI=1S/C11H22BrNO/c1-10(2)9-14-8-7-13-5-3-11(12)4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyAIGLIYJBBJDGQX-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds5

About 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine

4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 106457766) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID106457766
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(Br)CC1
InChIInChI=1S/C11H22BrNO/c1-10(2)9-14-8-7-13-5-3-11(12)4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyAIGLIYJBBJDGQX-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
1-[2-(2-methylpropoxy)ethyl]-4-pyrrolidin-1-ylazepane
CID 122139895
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019
4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457882

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 106457766) is 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine is CC(C)COCCN1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is AIGLIYJBBJDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2)9-14-8-7-13-5-3-11(12)4-6-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine?
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 106457766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).