1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine

C19H23BrN2O — CID 150465716

IUPAC1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
SMILESCc1cc(Br)cc(OCc2ccccc2)c1N1CCN(C)CC1
InChIInChI=1S/C19H23BrN2O/c1-15-12-17(20)13-18(23-14-16-6-4-3-5-7-16)19(15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyHQSMRZWYUALTRY-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine

1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine (PubChem CID 150465716) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
PubChem CID150465716
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine
SMILESCc1cc(Br)cc(OCc2ccccc2)c1N1CCN(C)CC1
InChIInChI=1S/C19H23BrN2O/c1-15-12-17(20)13-18(23-14-16-6-4-3-5-7-16)19(15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyHQSMRZWYUALTRY-UHFFFAOYSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-methyl-6-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 155777364
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
1-[(2-bromo-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 172648016
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
3-(4-methylpiperazin-1-yl)-5-phenylmethoxyquinoline
CID 50994942
N,N-dimethyl-4-[5-[3-methyl-4-(4-methylpiperazin-1-yl)-5-phenylmethoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274634
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine (CID 150465716) is 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine is Cc1cc(Br)cc(OCc2ccccc2)c1N1CCN(C)CC1.
What is the InChIKey of 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine?
The InChIKey is HQSMRZWYUALTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-15-12-17(20)13-18(23-14-16-6-4-3-5-7-16)19(15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine?
1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine has a molecular weight of 375.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methyl-6-phenylmethoxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 150465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).