1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine

C51H108N10O4S — CID 167606294

IUPAC1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.C11H24N2.C10H20N2O.C10H22N2.C9H20N2O2S/c1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-9H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3;9-10H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyKKTMLBMWXBSCBK-UHFFFAOYSA-N
MW957.56 g/mol
LogP5.74
Rot. Bonds6

About 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine

1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine (PubChem CID 167606294) has the molecular formula C51H108N10O4S and a molecular weight of 957.56 g/mol. Its IUPAC name is 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine
PubChem CID167606294
Molecular FormulaC51H108N10O4S
Molecular Weight957.56 g/mol
Exact Mass956.83
IUPAC Name1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.C11H24N2.C10H20N2O.C10H22N2.C9H20N2O2S/c1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-9H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3;9-10H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyKKTMLBMWXBSCBK-UHFFFAOYSA-N
XLogP5.74
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine?
The IUPAC name of 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine (CID 167606294) is 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine?
The canonical SMILES for 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(C)(=O)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CCC(=O)N1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine?
The InChIKey is KKTMLBMWXBSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C11H24N2.C10H20N2O.C10H22N2.C9H20N2O2S/c1-5-10(14)12-6-8-13(9-7-12)11(2,3)4;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2)12-7-5-10(6-8-12)11(3)4;1-9(2,3)10-5-7-11(8-6-10)14(4,12)13/h5-9H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3;9-10H,5-8H2,1-4H3;5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine?
1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine has a molecular weight of 957.56 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylsulfonylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-(2,2-dimethylpropyl)-4-ethylpiperazine is sourced from PubChem (CID 167606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).