4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride

C18H21BrClNO — CID 56830778

IUPAC4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
SMILESBrc1ccc(OCC2CCNCC2)c(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H20BrNO.ClH/c19-16-6-7-18(21-13-14-8-10-20-11-9-14)17(12-16)15-4-2-1-3-5-15;/h1-7,12,14,20H,8-11,13H2;1H
InChIKeyQDTZJHUDKLFJOX-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.92
Rot. Bonds4

About 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride

4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 56830778) has the molecular formula C18H21BrClNO and a molecular weight of 382.73 g/mol. Its IUPAC name is 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
PubChem CID56830778
Molecular FormulaC18H21BrClNO
Molecular Weight382.73 g/mol
Exact Mass381.05
IUPAC Name4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
SMILESBrc1ccc(OCC2CCNCC2)c(-c2ccccc2)c1.Cl
InChIInChI=1S/C18H20BrNO.ClH/c19-16-6-7-18(21-13-14-8-10-20-11-9-14)17(12-16)15-4-2-1-3-5-15;/h1-7,12,14,20H,8-11,13H2;1H
InChIKeyQDTZJHUDKLFJOX-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride (CID 56830778) is 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride is Brc1ccc(OCC2CCNCC2)c(-c2ccccc2)c1.Cl.
What is the InChIKey of 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is QDTZJHUDKLFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO.ClH/c19-16-6-7-18(21-13-14-8-10-20-11-9-14)17(12-16)15-4-2-1-3-5-15;/h1-7,12,14,20H,8-11,13H2;1H.
What are the key properties of 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride?
4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 382.73 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 56830778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).