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

C16H24ClFN2 — CID 102620665

IUPAC5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H24ClFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-7-13(18)5-6-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3
InChIKeyGPSNAOLHOHZPIY-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.69
Rot. Bonds2

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

5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine (PubChem CID 102620665) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
PubChem CID102620665
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H24ClFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-7-13(18)5-6-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3
InChIKeyGPSNAOLHOHZPIY-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
CID 64843561
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
5-tert-butyl-1-[(2-chloro-6-methoxyphenyl)methyl]-2-methylpiperazine
CID 103293535
1-[(2,5-dichlorophenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65317608
3-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 102620786
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 102620651
5-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]-2-ethylpiperazine
CID 114860447
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
CID 102620685
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine (CID 102620665) is 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine is CC1CNC(C(C)(C)C)CN1Cc1cc(F)ccc1Cl.
What is the InChIKey of 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine?
The InChIKey is GPSNAOLHOHZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-11-8-19-15(16(2,3)4)10-20(11)9-12-7-13(18)5-6-14(12)17/h5-7,11,15,19H,8-10H2,1-4H3.
What are the key properties of 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine?
5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 102620665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).