2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine

C16H24BrNO — CID 80671046

IUPAC2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
SMILESBrCCC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C16H24BrNO/c17-11-10-15-7-4-5-12-18(15)13-6-14-19-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyIVHOYEGPCCVKLH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.09
Rot. Bonds7

About 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine

2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine (PubChem CID 80671046) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
PubChem CID80671046
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
SMILESBrCCC1CCCCN1CCCOc1ccccc1
InChIInChI=1S/C16H24BrNO/c17-11-10-15-7-4-5-12-18(15)13-6-14-19-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2
InChIKeyIVHOYEGPCCVKLH-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
(2R)-1-[3-(4-iodophenoxy)propyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 124565487
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine (CID 80671046) is 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine is BrCCC1CCCCN1CCCOc1ccccc1.
What is the InChIKey of 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine?
The InChIKey is IVHOYEGPCCVKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-11-10-15-7-4-5-12-18(15)13-6-14-19-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14H2.
What are the key properties of 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine?
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine has a molecular weight of 326.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine is sourced from PubChem (CID 80671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).