1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine

C20H25BrN2O — CID 171335226

IUPAC1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
SMILESCOC(CN1CCN(Cc2ccccc2Br)CC1)c1ccccc1
InChIInChI=1S/C20H25BrN2O/c1-24-20(17-7-3-2-4-8-17)16-23-13-11-22(12-14-23)15-18-9-5-6-10-19(18)21/h2-10,20H,11-16H2,1H3
InChIKeyPICUSSMJFMDNHO-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.95
Rot. Bonds6

About 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine

1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine (PubChem CID 171335226) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
PubChem CID171335226
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
SMILESCOC(CN1CCN(Cc2ccccc2Br)CC1)c1ccccc1
InChIInChI=1S/C20H25BrN2O/c1-24-20(17-7-3-2-4-8-17)16-23-13-11-22(12-14-23)15-18-9-5-6-10-19(18)21/h2-10,20H,11-16H2,1H3
InChIKeyPICUSSMJFMDNHO-UHFFFAOYSA-N
XLogP3.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171335225
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62312271
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
CID 167921657
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 110177591
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 124847702

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine (CID 171335226) is 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine is COC(CN1CCN(Cc2ccccc2Br)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine?
The InChIKey is PICUSSMJFMDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-24-20(17-7-3-2-4-8-17)16-23-13-11-22(12-14-23)15-18-9-5-6-10-19(18)21/h2-10,20H,11-16H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine?
1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine has a molecular weight of 389.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine is sourced from PubChem (CID 171335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).