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

C16H24BrNO2 — CID 106838307

IUPAC4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
SMILESCOc1ccccc1OCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C16H24BrNO2/c1-13(17)14-7-9-18(10-8-14)11-12-20-16-6-4-3-5-15(16)19-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyVZAAHUMHVMFDGG-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.57
Rot. Bonds6

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

4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine (PubChem CID 106838307) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
PubChem CID106838307
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
SMILESCOc1ccccc1OCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C16H24BrNO2/c1-13(17)14-7-9-18(10-8-14)11-12-20-16-6-4-3-5-15(16)19-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyVZAAHUMHVMFDGG-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
4-(1-bromoethyl)-1-[2-(3-bromophenoxy)ethyl]piperidine
CID 106838322
1-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905906
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethoxy]-3-methoxybenzonitrile
CID 111448281

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine (CID 106838307) is 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine is COc1ccccc1OCCN1CCC(C(C)Br)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
The InChIKey is VZAAHUMHVMFDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13(17)14-7-9-18(10-8-14)11-12-20-16-6-4-3-5-15(16)19-2/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine?
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine has a molecular weight of 342.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 106838307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).