4-bromo-3-methyl-1-(2-propoxyethyl)piperidine

C11H22BrNO — CID 106457883

IUPAC4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(Br)C(C)C1
InChIInChI=1S/C11H22BrNO/c1-3-7-14-8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyPISYISNNXHOQCM-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds5

About 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine

4-bromo-3-methyl-1-(2-propoxyethyl)piperidine (PubChem CID 106457883) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine.

Molecular Properties

Compound Name4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
PubChem CID106457883
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(Br)C(C)C1
InChIInChI=1S/C11H22BrNO/c1-3-7-14-8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyPISYISNNXHOQCM-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-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylpiperidine
CID 114682409
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
4-bromo-3-methyl-1-(4-methylpentyl)piperidine
CID 114682378
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
4-bromo-3-methyl-1-(3-methylbutyl)piperidine
CID 114682410
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
3,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106455016
4-bromo-3-methyl-1-[4-(oxan-4-yl)butyl]piperidine
CID 114192677
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine?
The IUPAC name of 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine (CID 106457883) is 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine.
What is the SMILES notation for 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine?
The canonical SMILES for 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine is CCCOCCN1CCC(Br)C(C)C1.
What is the InChIKey of 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine?
The InChIKey is PISYISNNXHOQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-3-7-14-8-6-13-5-4-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-bromo-3-methyl-1-(2-propoxyethyl)piperidine?
4-bromo-3-methyl-1-(2-propoxyethyl)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-3-methyl-1-(2-propoxyethyl)piperidine is sourced from PubChem (CID 106457883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).