1-[4-(3-bromophenoxy)butyl]piperidine

C15H22BrNO — CID 2297384

IUPAC1-[4-(3-bromophenoxy)butyl]piperidine
SMILESBrc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H22BrNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2
InChIKeyNWGJRMHLCDYJCI-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.09
Rot. Bonds6

About 1-[4-(3-bromophenoxy)butyl]piperidine

1-[4-(3-bromophenoxy)butyl]piperidine (PubChem CID 2297384) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[4-(3-bromophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(3-bromophenoxy)butyl]piperidine
PubChem CID2297384
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[4-(3-bromophenoxy)butyl]piperidine
SMILESBrc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H22BrNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2
InChIKeyNWGJRMHLCDYJCI-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]piperidine;oxalic acid
CID 2924023
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
1-[2-(3-bromophenoxy)ethyl]-4-(2-chloroethyl)-1,4-diazepane
CID 63387700
2-[4-[2-(3-bromophenoxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63309734
3-[2-(3-bromophenoxy)ethyl]-3-azaspiro[5.5]undecane
CID 63456840
4-[2-(3-bromophenoxy)ethyl]-1,4-thiazepane
CID 54971594
4-(3-bromophenoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 112760327
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(3-bromophenoxy)butyl]piperidine (CID 2297384) is 1-[4-(3-bromophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(3-bromophenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(3-bromophenoxy)butyl]piperidine is Brc1cccc(OCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-(3-bromophenoxy)butyl]piperidine?
The InChIKey is NWGJRMHLCDYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2.
What are the key properties of 1-[4-(3-bromophenoxy)butyl]piperidine?
1-[4-(3-bromophenoxy)butyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenoxy)butyl]piperidine is sourced from PubChem (CID 2297384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).