4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine

C15H21BrFNO — CID 10568394

IUPAC4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCC(COc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrFNO/c16-14-2-4-15(5-3-14)19-12-13-6-10-18(11-7-13)9-1-8-17/h2-5,13H,1,6-12H2
InChIKeyAHAGIIZNUZGGLS-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.90
Rot. Bonds6

About 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine

4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine (PubChem CID 10568394) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine
PubChem CID10568394
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine
SMILESFCCCN1CCC(COc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrFNO/c16-14-2-4-15(5-3-14)19-12-13-6-10-18(11-7-13)9-1-8-17/h2-5,13H,1,6-12H2
InChIKeyAHAGIIZNUZGGLS-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine?
The IUPAC name of 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine (CID 10568394) is 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine is FCCCN1CCC(COc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine?
The InChIKey is AHAGIIZNUZGGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c16-14-2-4-15(5-3-14)19-12-13-6-10-18(11-7-13)9-1-8-17/h2-5,13H,1,6-12H2.
What are the key properties of 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine?
4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine has a molecular weight of 330.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]-1-(3-fluoropropyl)piperidine is sourced from PubChem (CID 10568394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).