1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine

C20H39FN2 — CID 135273179

IUPAC1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39FN2/c1-18(2,3)15-17-7-9-20(21,10-8-17)16-22-11-13-23(14-12-22)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyHSFFWKDXNNCORH-UHFFFAOYSA-N
MW326.54 g/mol
LogP4.74
Rot. Bonds3

About 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine

1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine (PubChem CID 135273179) has the molecular formula C20H39FN2 and a molecular weight of 326.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
PubChem CID135273179
Molecular FormulaC20H39FN2
Molecular Weight326.54 g/mol
Exact Mass326.31
IUPAC Name1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39FN2/c1-18(2,3)15-17-7-9-20(21,10-8-17)16-22-11-13-23(14-12-22)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyHSFFWKDXNNCORH-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine (CID 135273179) is 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine is CC(C)(C)CC1CCC(F)(CN2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The InChIKey is HSFFWKDXNNCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2/c1-18(2,3)15-17-7-9-20(21,10-8-17)16-22-11-13-23(14-12-22)19(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine has a molecular weight of 326.54 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine is sourced from PubChem (CID 135273179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).