1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine

C50H103F3N12O3 — CID 167601426

IUPAC1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1=O.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H22N2.C9H17F3N2.C8H14N2O2.C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-6(2)10-5-4-9(3)7(11)8(10)12;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyJUDBCRYGDMGOGT-UHFFFAOYSA-N
MW977.45 g/mol
LogP3.80
Rot. Bonds7

About 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine

1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine (PubChem CID 167601426) has the molecular formula C50H103F3N12O3 and a molecular weight of 977.45 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
PubChem CID167601426
Molecular FormulaC50H103F3N12O3
Molecular Weight977.45 g/mol
Exact Mass976.82
IUPAC Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1=O.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1
InChIInChI=1S/C10H22N2.C9H17F3N2.C8H14N2O2.C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-6(2)10-5-4-9(3)7(11)8(10)12;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyJUDBCRYGDMGOGT-UHFFFAOYSA-N
XLogP3.80
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 167592538
1-Tert-butyl-4-methylpiperazine;1-tert-butylpiperazine;2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158685661
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;2-ethyl-4-methyl-1-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 158792794
1-[2-(tert-butylamino)ethyl]-4-propylpiperazine-2,5-dione;1-[2-(tert-butylamino)ethyl]-4-propylpiperazin-2-one;4-[2-(tert-butylamino)ethyl]-1-propylpiperazin-2-one;1-[3-(tert-butylamino)propyl]-4-propylpiperazine-2,5-dione;1-[3-(tert-butylamino)propyl]-4-propylpiperazin-2-one;4-[3-(tert-butylamino)propyl]-1-propylpiperazin-2-one;2-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]propan-2-amine;2-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]propan-2-amine
CID 160408040
N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide;methane;tris(2-(4-methylpiperazin-1-yl)-N-propylacetamide)
CID 160507973
2-(4-Methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 162077646
CID 168321432
CID 168321432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine (CID 167601426) is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine is CC(C)N1CC(C)N(C)C(C)C1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1=O.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC(C)N1CCNCC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
The InChIKey is JUDBCRYGDMGOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H17F3N2.C8H14N2O2.C8H16N2O.C8H18N2.C7H16N2/c1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-6(2)10-5-4-9(3)7(11)8(10)12;1-7(2)10-5-4-9(3)8(11)6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8-4-6-9/h8-10H,6-7H2,1-5H3;8H,3-7H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine?
1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine has a molecular weight of 977.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 167601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).