1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine

C14H21BrN2 — CID 64844916

IUPAC1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1
InChIInChI=1S/C14H21BrN2/c1-11-8-17(14(2,3)10-16-11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyXPKPZUKJYNXNSR-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.02
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine

1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64844916) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64844916
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1
InChIInChI=1S/C14H21BrN2/c1-11-8-17(14(2,3)10-16-11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3
InChIKeyXPKPZUKJYNXNSR-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine (CID 64844916) is 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine is CC1CN(Cc2ccc(Br)cc2)C(C)(C)CN1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is XPKPZUKJYNXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-8-17(14(2,3)10-16-11)9-12-4-6-13(15)7-5-12/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine?
1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64844916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).