4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine

C12H24BrNO2 — CID 103413199

IUPAC4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
SMILESCOCCOCCCN1CCC(Br)C(C)C1
InChIInChI=1S/C12H24BrNO2/c1-11-10-14(6-4-12(11)13)5-3-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3
InChIKeyODKNMTPEMPHBMV-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.14
Rot. Bonds7

About 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine

4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine (PubChem CID 103413199) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
PubChem CID103413199
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
SMILESCOCCOCCCN1CCC(Br)C(C)C1
InChIInChI=1S/C12H24BrNO2/c1-11-10-14(6-4-12(11)13)5-3-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3
InChIKeyODKNMTPEMPHBMV-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-methyl-1-(2-propoxyethyl)piperidine
CID 106457883
(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
4-bromo-3-methyl-1-(4-methylpentyl)piperidine
CID 114682378
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
CID 114682188
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114876496
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine?
The IUPAC name of 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine (CID 103413199) is 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine?
The canonical SMILES for 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine is COCCOCCCN1CCC(Br)C(C)C1.
What is the InChIKey of 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine?
The InChIKey is ODKNMTPEMPHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-11-10-14(6-4-12(11)13)5-3-7-16-9-8-15-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine?
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine has a molecular weight of 294.23 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 103413199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).