4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine

C21H39F3N2 — CID 170569518

IUPAC4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)CC1CCC(CCCN2CCN(C(C)C)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C21H39F3N2/c1-16(2)14-19-9-7-18(8-10-19)6-5-11-25-12-13-26(17(3)4)20(15-25)21(22,23)24/h16-20H,5-15H2,1-4H3
InChIKeyGGKKKDRAOWMONA-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.58
Rot. Bonds7

About 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine

4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 170569518) has the molecular formula C21H39F3N2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID170569518
Molecular FormulaC21H39F3N2
Molecular Weight376.55 g/mol
Exact Mass376.31
IUPAC Name4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)CC1CCC(CCCN2CCN(C(C)C)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C21H39F3N2/c1-16(2)14-19-9-7-18(8-10-19)6-5-11-25-12-13-26(17(3)4)20(15-25)21(22,23)24/h16-20H,5-15H2,1-4H3
InChIKeyGGKKKDRAOWMONA-UHFFFAOYSA-N
XLogP5.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The IUPAC name of 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine (CID 170569518) is 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine is CC(C)CC1CCC(CCCN2CCN(C(C)C)C(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is GGKKKDRAOWMONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39F3N2/c1-16(2)14-19-9-7-18(8-10-19)6-5-11-25-12-13-26(17(3)4)20(15-25)21(22,23)24/h16-20H,5-15H2,1-4H3.
What are the key properties of 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine?
4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 376.55 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methylpropyl)cyclohexyl]propyl]-1-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170569518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).