1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

C66H143F3N14 — CID 158118360

IUPAC1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N2.2C10H22N2.C9H17F3N2.2C9H20N2.C8H18N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,3-7H2,1-2H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyFRHMKCNYQKKMTM-UHFFFAOYSA-N
MW1189.96 g/mol
LogP8.79
Rot. Bonds15

About 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 158118360) has the molecular formula C66H143F3N14 and a molecular weight of 1189.96 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID158118360
Molecular FormulaC66H143F3N14
Molecular Weight1189.96 g/mol
Exact Mass1189.16
IUPAC Name1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N2.2C10H22N2.C9H17F3N2.2C9H20N2.C8H18N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,3-7H2,1-2H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyFRHMKCNYQKKMTM-UHFFFAOYSA-N
XLogP8.79
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.96
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 158118360) is 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is CC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is FRHMKCNYQKKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2C10H22N2.C9H17F3N2.2C9H20N2.C8H18N2/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;2*1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,3-7H2,1-2H3;2*9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 1189.96 g/mol, XLogP of 8.79, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 158118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).