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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Related Compounds

CID 56993
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CID 54605840
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CID 9797268
CID 9797268
CID 21827290
CID 21827290
CID 44331793
CID 44331793
CID 784591
CID 784591
CID 415815
CID 415815
CID 3246352
CID 3246352
CID 417870
CID 417870
CID 13056
CID 13056
CID 132262451
CID 132262451
CID 135273179
CID 135273179

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).