1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine

C16H24BrFN2 — CID 64843561

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1Cc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-5-6-13(18)7-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3
InChIKeyRLRNVWAZKKNWLG-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.80
Rot. Bonds2

About 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine

1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine (PubChem CID 64843561) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
PubChem CID64843561
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1Cc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-5-6-13(18)7-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3
InChIKeyRLRNVWAZKKNWLG-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
CID 102620665
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
1-[(2-bromo-4-fluorophenyl)methyl]-3-tert-butyl-1,4-diazepane
CID 64869722
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64860226
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
1-[(2-bromophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 64840935
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(3-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-ethylpiperazine
CID 64841431

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine (CID 64843561) is 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine is CC1CNC(C(C)(C)C)CN1Cc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine?
The InChIKey is RLRNVWAZKKNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-5-6-13(18)7-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine?
1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine is sourced from PubChem (CID 64843561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).