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

C21H41FN2 — CID 153486100

IUPAC1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(F)(CN2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41FN2/c1-19(2,3)15-18-7-9-21(22,10-8-18)17-24-13-11-23(12-14-24)16-20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyGXFBUVCESDXIPT-UHFFFAOYSA-N
MW340.57 g/mol
LogP4.98
Rot. Bonds4

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

1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine (PubChem CID 153486100) has the molecular formula C21H41FN2 and a molecular weight of 340.57 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
PubChem CID153486100
Molecular FormulaC21H41FN2
Molecular Weight340.57 g/mol
Exact Mass340.33
IUPAC Name1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine
SMILESCC(C)(C)CC1CCC(F)(CN2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41FN2/c1-19(2,3)15-18-7-9-21(22,10-8-18)17-24-13-11-23(12-14-24)16-20(4,5)6/h18H,7-17H2,1-6H3
InChIKeyGXFBUVCESDXIPT-UHFFFAOYSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine (CID 153486100) is 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine is CC(C)(C)CC1CCC(F)(CN2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
The InChIKey is GXFBUVCESDXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN2/c1-19(2,3)15-18-7-9-21(22,10-8-18)17-24-13-11-23(12-14-24)16-20(4,5)6/h18H,7-17H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine?
1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine has a molecular weight of 340.57 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[[4-(2,2-dimethylpropyl)-1-fluorocyclohexyl]methyl]piperazine is sourced from PubChem (CID 153486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).