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

C20H37F3N2O — CID 170372982

IUPAC4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyRLPSOUIKLBNWQA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.71
Rot. Bonds7

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

4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine (PubChem CID 170372982) has the molecular formula C20H37F3N2O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
PubChem CID170372982
Molecular FormulaC20H37F3N2O
Molecular Weight378.52 g/mol
Exact Mass378.29
IUPAC Name4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
SMILESCC(C)OC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyRLPSOUIKLBNWQA-UHFFFAOYSA-N
XLogP4.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-4-[4,6-dimethyl-8-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonan-2-yl]piperazine
CID 155214989
1-Tert-butyl-4-[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)octan-2-yl]piperazine
CID 156356976
(2S)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372624
(2R)-1-propan-2-yl-4-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372627
(2R)-1-propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372798
(2S)-1-propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372801
4-Propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372974
(2R)-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372976
(2S)-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372980
(2R)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372984
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986
1-Propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170375379

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The IUPAC name of 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine (CID 170372982) is 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The canonical SMILES for 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine is CC(C)OC1CCC(CCCN2CCN(C(C)C)CC2C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
The InChIKey is RLPSOUIKLBNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F3N2O/c1-15(2)25-13-12-24(19(14-25)20(21,22)23)11-5-6-17-7-9-18(10-8-17)26-16(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine?
4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine has a molecular weight of 378.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).