4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine

C16H24BrNO3 — CID 82684444

IUPAC4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
SMILESCOc1ccccc1OCCN1CCC(OCCBr)CC1
InChIInChI=1S/C16H24BrNO3/c1-19-15-4-2-3-5-16(15)21-13-11-18-9-6-14(7-10-18)20-12-8-17/h2-5,14H,6-13H2,1H3
InChIKeyQNUAGWIWDFYBQU-UHFFFAOYSA-N
MW358.28 g/mol
LogP2.95
Rot. Bonds8

About 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine

4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine (PubChem CID 82684444) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
PubChem CID82684444
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
SMILESCOc1ccccc1OCCN1CCC(OCCBr)CC1
InChIInChI=1S/C16H24BrNO3/c1-19-15-4-2-3-5-16(15)21-13-11-18-9-6-14(7-10-18)20-12-8-17/h2-5,14H,6-13H2,1H3
InChIKeyQNUAGWIWDFYBQU-UHFFFAOYSA-N
XLogP2.95
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
CID 82702024
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
3-(2-bromoethyl)-1-[2-(2-ethoxyphenoxy)ethyl]pyrrolidine
CID 114800481
2-[1-[2-(2-methoxyphenoxy)ethyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953603
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
3-[[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]methyl]-2H-1,3-benzothiazol-2-amine
CID 57269963

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine (CID 82684444) is 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine is COc1ccccc1OCCN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The InChIKey is QNUAGWIWDFYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-19-15-4-2-3-5-16(15)21-13-11-18-9-6-14(7-10-18)20-12-8-17/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine has a molecular weight of 358.28 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 82684444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).