1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine

C15H23BrN2O — CID 65331441

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2cc(OC)ccc2Br)C(C)CN1
InChIInChI=1S/C15H23BrN2O/c1-4-13-10-18(11(2)8-17-13)9-12-7-14(19-3)5-6-15(12)16/h5-7,11,13,17H,4,8-10H2,1-3H3
InChIKeyPHMWOIDDRUZTCH-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds4

About 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine

1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine (PubChem CID 65331441) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
PubChem CID65331441
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
SMILESCCC1CN(Cc2cc(OC)ccc2Br)C(C)CN1
InChIInChI=1S/C15H23BrN2O/c1-4-13-10-18(11(2)8-17-13)9-12-7-14(19-3)5-6-15(12)16/h5-7,11,13,17H,4,8-10H2,1-3H3
InChIKeyPHMWOIDDRUZTCH-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
CID 65331268
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
1-[(2-bromo-5-methoxyphenyl)methyl]-2-methylpiperazine
CID 65323068
5-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64840938
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 64977910
5-[(2-bromo-5-methoxyphenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209340
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2-methylpiperazine
CID 64842685
1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65317608
(3R)-1-[(2-bromo-5-methoxyphenyl)methyl]-3-methylpiperazine
CID 113345867
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine (CID 65331441) is 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine is CCC1CN(Cc2cc(OC)ccc2Br)C(C)CN1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine?
The InChIKey is PHMWOIDDRUZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-13-10-18(11(2)8-17-13)9-12-7-14(19-3)5-6-15(12)16/h5-7,11,13,17H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine?
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine has a molecular weight of 327.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 65331441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).