1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine

C16H25BrN2 — CID 64845583

IUPAC1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-12(2)8-16-9-18-13(3)10-19(16)11-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyPYEBPCMHIUZFMQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.66
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine

1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 64845583) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID64845583
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-12(2)8-16-9-18-13(3)10-19(16)11-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyPYEBPCMHIUZFMQ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845979
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 65317842
1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845956
5-methyl-2-(2-methylpropyl)-1-(3-phenylpropyl)piperazine
CID 64845965
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1-(3-chloro-2-methylprop-2-enyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106440350
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64844916
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-(2-ethylsulfonylethyl)-5-methyl-2-(2-methylpropyl)piperazine
CID 106732837
1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64837785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (CID 64845583) is 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is PYEBPCMHIUZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12(2)8-16-9-18-13(3)10-19(16)11-14-4-6-15(17)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 325.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64845583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).