1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine

C16H24BrNO — CID 2888107

IUPAC1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
SMILESCC1CCN(CCCCOc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-4-5-13-19-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyUQTQDSDHPOBJSK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.34
Rot. Bonds6

About 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine

1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine (PubChem CID 2888107) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
PubChem CID2888107
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
SMILESCC1CCN(CCCCOc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-4-5-13-19-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3
InChIKeyUQTQDSDHPOBJSK-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[4-(2-bromophenoxy)butyl]piperidine-4-carboxylate
CID 6460985
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
CID 2298260
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine?
The IUPAC name of 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine (CID 2888107) is 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine is CC1CCN(CCCCOc2ccccc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine?
The InChIKey is UQTQDSDHPOBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-14-8-11-18(12-9-14)10-4-5-13-19-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3.
What are the key properties of 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine?
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine has a molecular weight of 326.28 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine is sourced from PubChem (CID 2888107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).