1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine

C19H22Br2N2O — CID 10321715

IUPAC1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
SMILESBrc1cc(Br)cc(COCC(c2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
InChIKeyPYALTOQQRPEMLM-UHFFFAOYSA-N
MW454.21 g/mol
LogP4.37
Rot. Bonds6

About 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine

1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine (PubChem CID 10321715) has the molecular formula C19H22Br2N2O and a molecular weight of 454.21 g/mol. Its IUPAC name is 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
PubChem CID10321715
Molecular FormulaC19H22Br2N2O
Molecular Weight454.21 g/mol
Exact Mass452.01
IUPAC Name1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
SMILESBrc1cc(Br)cc(COCC(c2ccccc2)N2CCNCC2)c1
InChIInChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2
InChIKeyPYALTOQQRPEMLM-UHFFFAOYSA-N
XLogP4.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
1-[2-[(3,5-Dimethylphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338532
1-[2-[(3-Bromo-5-iodophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338545
(S)-1-(2-(3,5-dibromobenzyloxy)-1-phenylethyl)piperazine
CID 44338587
1-[(1R)-2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338638
1-[2-[(3,5-Dibromo-2-methoxyphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338640
(R)-N4-Benzyl-2-(benzyloxymethyl)piperazine
CID 10803904
1-(1-Phenyl-2-phenylmethoxyethyl)piperazine
CID 44358420
(1S,3R)-5-bromo-1-methyl-3-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 155415175
(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine
CID 22860667
(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine
CID 22860746
1-[1-[(3-Bromo-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147670

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine (CID 10321715) is 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine is Brc1cc(Br)cc(COCC(c2ccccc2)N2CCNCC2)c1.
What is the InChIKey of 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine?
The InChIKey is PYALTOQQRPEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2.
What are the key properties of 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine?
1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine has a molecular weight of 454.21 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine is sourced from PubChem (CID 10321715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).