1-[3-(3-bromophenoxy)propyl]piperidine

C14H20BrNO — CID 2297566

IUPAC1-[3-(3-bromophenoxy)propyl]piperidine
SMILESBrc1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C14H20BrNO/c15-13-6-4-7-14(12-13)17-11-5-10-16-8-2-1-3-9-16/h4,6-7,12H,1-3,5,8-11H2
InChIKeySXWQFJPKDHZWIG-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.70
Rot. Bonds5

About 1-[3-(3-bromophenoxy)propyl]piperidine

1-[3-(3-bromophenoxy)propyl]piperidine (PubChem CID 2297566) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[3-(3-bromophenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(3-bromophenoxy)propyl]piperidine
PubChem CID2297566
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[3-(3-bromophenoxy)propyl]piperidine
SMILESBrc1cccc(OCCCN2CCCCC2)c1
InChIInChI=1S/C14H20BrNO/c15-13-6-4-7-14(12-13)17-11-5-10-16-8-2-1-3-9-16/h4,6-7,12H,1-3,5,8-11H2
InChIKeySXWQFJPKDHZWIG-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.70
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-[3-(3-bromophenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(3-bromophenoxy)propyl]piperidine (CID 2297566) is 1-[3-(3-bromophenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(3-bromophenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(3-bromophenoxy)propyl]piperidine is Brc1cccc(OCCCN2CCCCC2)c1.
What is the InChIKey of 1-[3-(3-bromophenoxy)propyl]piperidine?
The InChIKey is SXWQFJPKDHZWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-13-6-4-7-14(12-13)17-11-5-10-16-8-2-1-3-9-16/h4,6-7,12H,1-3,5,8-11H2.
What are the key properties of 1-[3-(3-bromophenoxy)propyl]piperidine?
1-[3-(3-bromophenoxy)propyl]piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenoxy)propyl]piperidine is sourced from PubChem (CID 2297566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).