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

C15H22BrNO — CID 2057710

IUPAC1-[4-(4-bromophenoxy)butyl]piperidine
SMILESBrc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H22BrNO/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyVKQPDDYIAYQLKV-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.09
Rot. Bonds6

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

1-[4-(4-bromophenoxy)butyl]piperidine (PubChem CID 2057710) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[4-(4-bromophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-bromophenoxy)butyl]piperidine
PubChem CID2057710
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[4-(4-bromophenoxy)butyl]piperidine
SMILESBrc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H22BrNO/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2
InChIKeyVKQPDDYIAYQLKV-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(4-bromophenoxy)butyl]piperidine (CID 2057710) is 1-[4-(4-bromophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(4-bromophenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(4-bromophenoxy)butyl]piperidine is Brc1ccc(OCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(4-bromophenoxy)butyl]piperidine?
The InChIKey is VKQPDDYIAYQLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-6-8-15(9-7-14)18-13-5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2.
What are the key properties of 1-[4-(4-bromophenoxy)butyl]piperidine?
1-[4-(4-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-(4-bromophenoxy)butyl]piperidine is sourced from PubChem (CID 2057710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).