4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine

C21H41FN2 — CID 176841834

IUPAC4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine
SMILESCC1CN(C(C)(C)C)CC(C)N1CC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C21H41FN2/c1-15-12-23(21(6,7)8)13-16(2)24(15)14-17-9-10-18(19(22)11-17)20(3,4)5/h15-19H,9-14H2,1-8H3
InChIKeyMFXCSSGJNJEPDJ-UHFFFAOYSA-N
MW340.57 g/mol
LogP4.98
Rot. Bonds2

About 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine

4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine (PubChem CID 176841834) has the molecular formula C21H41FN2 and a molecular weight of 340.57 g/mol. Its IUPAC name is 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine
PubChem CID176841834
Molecular FormulaC21H41FN2
Molecular Weight340.57 g/mol
Exact Mass340.33
IUPAC Name4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine
SMILESCC1CN(C(C)(C)C)CC(C)N1CC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C21H41FN2/c1-15-12-23(21(6,7)8)13-16(2)24(15)14-17-9-10-18(19(22)11-17)20(3,4)5/h15-19H,9-14H2,1-8H3
InChIKeyMFXCSSGJNJEPDJ-UHFFFAOYSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine?
The IUPAC name of 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine (CID 176841834) is 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine.
What is the SMILES notation for 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine?
The canonical SMILES for 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine is CC1CN(C(C)(C)C)CC(C)N1CC1CCC(C(C)(C)C)C(F)C1.
What is the InChIKey of 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine?
The InChIKey is MFXCSSGJNJEPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2/c1-15-12-23(21(6,7)8)13-16(2)24(15)14-17-9-10-18(19(22)11-17)20(3,4)5/h15-19H,9-14H2,1-8H3.
What are the key properties of 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine?
4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine has a molecular weight of 340.57 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 176841834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).