1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine

C15H21F11N2O — CID 130418442

IUPAC1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine
SMILESCC(OC(C)C(F)(F)C(N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H21F11N2O/c1-8(12(17,18)10(16)14(21,22)23)29-9(2)13(19,20)11(15(24,25)26)28-6-4-27(3)5-7-28/h8-11H,4-7H2,1-3H3
InChIKeyYVWSSZNORPDRIC-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.13
Rot. Bonds7

About 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine

1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine (PubChem CID 130418442) has the molecular formula C15H21F11N2O and a molecular weight of 454.32 g/mol. Its IUPAC name is 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine
PubChem CID130418442
Molecular FormulaC15H21F11N2O
Molecular Weight454.32 g/mol
Exact Mass454.15
IUPAC Name1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine
SMILESCC(OC(C)C(F)(F)C(N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H21F11N2O/c1-8(12(17,18)10(16)14(21,22)23)29-9(2)13(19,20)11(15(24,25)26)28-6-4-27(3)5-7-28/h8-11H,4-7H2,1-3H3
InChIKeyYVWSSZNORPDRIC-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine?
The IUPAC name of 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine (CID 130418442) is 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine is CC(OC(C)C(F)(F)C(N1CCN(C)CC1)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine?
The InChIKey is YVWSSZNORPDRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F11N2O/c1-8(12(17,18)10(16)14(21,22)23)29-9(2)13(19,20)11(15(24,25)26)28-6-4-27(3)5-7-28/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine?
1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine has a molecular weight of 454.32 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]piperazine is sourced from PubChem (CID 130418442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).