4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine

C15H21Br2NO — CID 106838322

IUPAC4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
SMILESCC(Br)C1CCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21Br2NO/c1-12(16)13-5-7-18(8-6-13)9-10-19-15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3
InChIKeySUKULCIIZJUJNQ-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.32
Rot. Bonds5

About 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine

4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine (PubChem CID 106838322) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
PubChem CID106838322
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
SMILESCC(Br)C1CCN(CCOc2cccc(Br)c2)CC1
InChIInChI=1S/C15H21Br2NO/c1-12(16)13-5-7-18(8-6-13)9-10-19-15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3
InChIKeySUKULCIIZJUJNQ-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]piperidine-4-carboxamide
CID 9442914
[1-[2-(3-bromophenoxy)ethyl]piperidin-4-yl] 3-methoxybutanoate
CID 102562742
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
3-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714071
1-[2-(3-bromophenoxy)ethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 62959239
2-[2-(3-bromophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336045
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-(3-bromophenoxy)ethyl]pyrrolidine-3-carboxamide
CID 103617459
1-[2-(3-bromophenoxy)ethyl]-3-(2-methylpropyl)piperazine
CID 64832830
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine (CID 106838322) is 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine is CC(Br)C1CCN(CCOc2cccc(Br)c2)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine?
The InChIKey is SUKULCIIZJUJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-12(16)13-5-7-18(8-6-13)9-10-19-15-4-2-3-14(17)11-15/h2-4,11-13H,5-10H2,1H3.
What are the key properties of 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine?
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine has a molecular weight of 391.15 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine is sourced from PubChem (CID 106838322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).