4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine

C16H24BrNO2 — CID 82702024

IUPAC4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
SMILESBrCCOC1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H24BrNO2/c17-9-14-20-16-7-11-18(12-8-16)10-4-13-19-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyLNAWHQKARSSNSG-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.33
Rot. Bonds8

About 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine

4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine (PubChem CID 82702024) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
PubChem CID82702024
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
SMILESBrCCOC1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C16H24BrNO2/c17-9-14-20-16-7-11-18(12-8-16)10-4-13-19-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2
InChIKeyLNAWHQKARSSNSG-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.33
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-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
CID 82691461
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
2-[1-[3-(4-aminophenoxy)propyl]piperidin-4-yl]oxyethanol
CID 82012443
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-(3-phenoxypropyl)piperazine
CID 2760351

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine (CID 82702024) is 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine is BrCCOC1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine?
The InChIKey is LNAWHQKARSSNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c17-9-14-20-16-7-11-18(12-8-16)10-4-13-19-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2.
What are the key properties of 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine?
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine has a molecular weight of 342.28 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine is sourced from PubChem (CID 82702024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).