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

C19H23BrClNO — CID 56829706

IUPAC2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
SMILESBrc1ccc(OCCC2CCCCN2)c(-c2ccccc2)c1.Cl
InChIInChI=1S/C19H22BrNO.ClH/c20-16-9-10-19(18(14-16)15-6-2-1-3-7-15)22-13-11-17-8-4-5-12-21-17;/h1-3,6-7,9-10,14,17,21H,4-5,8,11-13H2;1H
InChIKeyMPNCNGOUHDHJMC-UHFFFAOYSA-N
MW396.76 g/mol
LogP5.45
Rot. Bonds5

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

2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56829706) has the molecular formula C19H23BrClNO and a molecular weight of 396.76 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
PubChem CID56829706
Molecular FormulaC19H23BrClNO
Molecular Weight396.76 g/mol
Exact Mass395.07
IUPAC Name2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride
SMILESBrc1ccc(OCCC2CCCCN2)c(-c2ccccc2)c1.Cl
InChIInChI=1S/C19H22BrNO.ClH/c20-16-9-10-19(18(14-16)15-6-2-1-3-7-15)22-13-11-17-8-4-5-12-21-17;/h1-3,6-7,9-10,14,17,21H,4-5,8,11-13H2;1H
InChIKeyMPNCNGOUHDHJMC-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
CID 56830778
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
3-[(4-bromo-2-phenylphenoxy)methyl]pyrrolidine;hydrochloride
CID 56829708

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride (CID 56829706) is 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride is Brc1ccc(OCCC2CCCCN2)c(-c2ccccc2)c1.Cl.
What is the InChIKey of 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is MPNCNGOUHDHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO.ClH/c20-16-9-10-19(18(14-16)15-6-2-1-3-7-15)22-13-11-17-8-4-5-12-21-17;/h1-3,6-7,9-10,14,17,21H,4-5,8,11-13H2;1H.
What are the key properties of 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride?
2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 396.76 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-phenylphenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).