4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine

C21H38F3N3 — CID 170951758

IUPAC4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)C1CC(N2CCN(CC3CCN(C(C)C)CC3)C(C(F)(F)F)C2)C1
InChIInChI=1S/C21H38F3N3/c1-15(2)18-11-19(12-18)26-9-10-27(20(14-26)21(22,23)24)13-17-5-7-25(8-6-17)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyMGFQEPPPRGBLFQ-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.09
Rot. Bonds5

About 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine

4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine (PubChem CID 170951758) has the molecular formula C21H38F3N3 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine
PubChem CID170951758
Molecular FormulaC21H38F3N3
Molecular Weight389.55 g/mol
Exact Mass389.30
IUPAC Name4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)C1CC(N2CCN(CC3CCN(C(C)C)CC3)C(C(F)(F)F)C2)C1
InChIInChI=1S/C21H38F3N3/c1-15(2)18-11-19(12-18)26-9-10-27(20(14-26)21(22,23)24)13-17-5-7-25(8-6-17)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyMGFQEPPPRGBLFQ-UHFFFAOYSA-N
XLogP4.09
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine?
The IUPAC name of 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine (CID 170951758) is 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine?
The canonical SMILES for 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine is CC(C)C1CC(N2CCN(CC3CCN(C(C)C)CC3)C(C(F)(F)F)C2)C1.
What is the InChIKey of 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine?
The InChIKey is MGFQEPPPRGBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38F3N3/c1-15(2)18-11-19(12-18)26-9-10-27(20(14-26)21(22,23)24)13-17-5-7-25(8-6-17)16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine?
4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine has a molecular weight of 389.55 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170951758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).