1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C42H91N7O — CID 159381634

IUPAC1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1=O
InChIInChI=1S/C9H18N2O.C9H20N2.2C8H17N.C7H15N.CH4/c1-4-10-5-6-11(8(2)3)7-9(10)12;1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyLKZGBZUSDYYQAO-UHFFFAOYSA-N
MW710.24 g/mol
LogP7.48
Rot. Bonds7

About 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 159381634) has the molecular formula C42H91N7O and a molecular weight of 710.24 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID159381634
Molecular FormulaC42H91N7O
Molecular Weight710.24 g/mol
Exact Mass709.73
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESC.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1=O
InChIInChI=1S/C9H18N2O.C9H20N2.2C8H17N.C7H15N.CH4/c1-4-10-5-6-11(8(2)3)7-9(10)12;1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyLKZGBZUSDYYQAO-UHFFFAOYSA-N
XLogP7.48
TPSA39.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.24
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
1-(4-Propan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 57442419
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 57442917
1-(4-Cyclopentylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826186
1-(4-Piperidin-1-ylpiperidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826187
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826207
2-[3-(Diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826212
2-(4-Piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826245
2-(4-Cyclopentylpiperazin-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826276
2-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826296
4-Tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one
CID 157437984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 159381634) is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1=O.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is LKZGBZUSDYYQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H20N2.2C8H17N.C7H15N.CH4/c1-4-10-5-6-11(8(2)3)7-9(10)12;1-4-10-5-7-11(8-6-10)9(2)3;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 710.24 g/mol, XLogP of 7.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazin-2-one;methane;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159381634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).