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

C37H79N9O2 — CID 158685661

IUPAC1-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
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCNCC1.CC(C)N1CCN(C(=O)CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23N3O.C9H18N2O.C9H20N2.C8H18N2/c1-10(2)13-5-7-14(8-6-13)11(15)9-12(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,5-9H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;9H,4-7H2,1-3H3
InChIKeyIFRWNGQMXYASMU-UHFFFAOYSA-N
MW682.10 g/mol
LogP2.38
Rot. Bonds4

About 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

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 (PubChem CID 158685661) has the molecular formula C37H79N9O2 and a molecular weight of 682.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158685661
Molecular FormulaC37H79N9O2
Molecular Weight682.10 g/mol
Exact Mass681.64
IUPAC Name1-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
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCNCC1.CC(C)N1CCN(C(=O)CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H23N3O.C9H18N2O.C9H20N2.C8H18N2/c1-10(2)13-5-7-14(8-6-13)11(15)9-12(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,5-9H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;9H,4-7H2,1-3H3
InChIKeyIFRWNGQMXYASMU-UHFFFAOYSA-N
XLogP2.38
TPSA72.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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-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
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-propan-2-ylacetamide
CID 2394974
1-[2-[[3,5-Bis[butan-2-yl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-1,3,5-triazinan-1-yl]-butan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 17780410
CID 67086660
CID 67086660
3,3,5,5-Tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 70018577
2-[4-[4-[2-[[2-[4-(Piperazin-1-ylmethyl)piperidin-1-yl]acetyl]amino]propyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 142390578
N-butan-2-yl-2-[4-(piperazin-1-ylmethyl)piperidin-1-yl]acetamide;2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142390739
4-[(2S)-1-(3,5-dioxopiperazin-1-yl)propan-2-yl]-1-methylpiperazine-2,6-dione;1-methyl-4-[(2S)-2-(4-methyl-3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 145508112
1-Propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one
CID 157070257
tert-butyl 4-[2-(dimethylamino)-2-oxoethyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;bis(N,N-dimethyl-2-piperazin-1-ylacetamide)
CID 157211596
methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
CID 157327640

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1CCNCC1.CC(C)N1CCN(C(=O)CN(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is IFRWNGQMXYASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C9H18N2O.C9H20N2.C8H18N2/c1-10(2)13-5-7-14(8-6-13)11(15)9-12(3)4;1-8(2)10-4-6-11(7-5-10)9(3)12;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)10-6-4-9-5-7-10/h10H,5-9H2,1-4H3;8H,4-7H2,1-3H3;5-8H2,1-4H3;9H,4-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 682.10 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158685661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).