4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine

C23H41F3N2 — CID 134488538

IUPAC4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine
SMILESCC(C)C1CCN(CC2CCC2CC(C)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C23H41F3N2/c1-17(2)19-6-10-27(11-7-19)15-22-5-4-21(22)14-18(3)20-8-12-28(13-9-20)16-23(24,25)26/h17-22H,4-16H2,1-3H3
InChIKeyPUWVHTCPPCPFRS-UHFFFAOYSA-N
MW402.59 g/mol
LogP5.68
Rot. Bonds7

About 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine

4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine (PubChem CID 134488538) has the molecular formula C23H41F3N2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine.

Molecular Properties

Compound Name4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine
PubChem CID134488538
Molecular FormulaC23H41F3N2
Molecular Weight402.59 g/mol
Exact Mass402.32
IUPAC Name4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine
SMILESCC(C)C1CCN(CC2CCC2CC(C)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C23H41F3N2/c1-17(2)19-6-10-27(11-7-19)15-22-5-4-21(22)14-18(3)20-8-12-28(13-9-20)16-23(24,25)26/h17-22H,4-16H2,1-3H3
InChIKeyPUWVHTCPPCPFRS-UHFFFAOYSA-N
XLogP5.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine?
The IUPAC name of 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine (CID 134488538) is 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine.
What is the SMILES notation for 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine?
The canonical SMILES for 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine is CC(C)C1CCN(CC2CCC2CC(C)C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine?
The InChIKey is PUWVHTCPPCPFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41F3N2/c1-17(2)19-6-10-27(11-7-19)15-22-5-4-21(22)14-18(3)20-8-12-28(13-9-20)16-23(24,25)26/h17-22H,4-16H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine?
4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine has a molecular weight of 402.59 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propyl]cyclobutyl]methyl]piperidine is sourced from PubChem (CID 134488538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).