2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

C137H280N22O17 — CID 158749981

IUPAC2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C13H27N3.2C10H20N2O.C10H22N2.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h13H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);9-10H,5-8H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6)
InChIKeyINIVCJXETMBJND-UHFFFAOYSA-N
MW2507.88 g/mol
LogP14.18
Rot. Bonds27

About 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (PubChem CID 158749981) has the molecular formula C137H280N22O17 and a molecular weight of 2507.88 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
PubChem CID158749981
Molecular FormulaC137H280N22O17
Molecular Weight2507.88 g/mol
Exact Mass2506.17
IUPAC Name2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C13H27N3.2C10H20N2O.C10H22N2.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h13H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);9-10H,5-8H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6)
InChIKeyINIVCJXETMBJND-UHFFFAOYSA-N
XLogP14.18
TPSA452.36 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.88
LogP ≤ 514.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (CID 158749981) is 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is CC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)O.CC(C)C(N)=O.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CCC(=O)C(C)C.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The InChIKey is INIVCJXETMBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C13H27N3.2C10H20N2O.C10H22N2.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C6H12O.C5H12O.C4H9NO.C4H8O2/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-4-6(7)5(2)3;1-5(2)3-4-6;2*1-3(2)4(5)6/h13H,5-12H2,1-4H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);9-10H,5-8H2,1-4H3;7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;3H,1-2H3,(H2,5,6);3H,1-2H3,(H,5,6).
What are the key properties of 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol has a molecular weight of 2507.88 g/mol, XLogP of 14.18, 27 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);2-methylpentan-3-one;2-methylpropanamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 158749981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).