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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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

C112H227N19O13 — CID 160827721

IUPACN-(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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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(N2CCN(C)CC2)CC1.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)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O.C13H27N3.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C5H12O/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;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;1-7(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;1-5(2)3-4-6/h12-13H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);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;5-6H,3-4H2,1-2H3
InChIKeySGKBHYXVHKNPSL-UHFFFAOYSA-N
MW2048.17 g/mol
LogP9.89
Rot. Bonds22

About 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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

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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 160827721) has the molecular formula C112H227N19O13 and a molecular weight of 2048.17 g/mol. Its IUPAC name is 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 NameN-(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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 CID160827721
Molecular FormulaC112H227N19O13
Molecular Weight2048.17 g/mol
Exact Mass2046.77
IUPAC NameN-(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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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(N2CCN(C)CC2)CC1.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)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O.C13H27N3.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C5H12O/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;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;1-7(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;1-5(2)3-4-6/h12-13H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);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;5-6H,3-4H2,1-2H3
InChIKeySGKBHYXVHKNPSL-UHFFFAOYSA-N
XLogP9.89
TPSA348.42 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.17
LogP ≤ 59.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 160827721) is 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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(N2CCN(C)CC2)CC1.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)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 SGKBHYXVHKNPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C13H27N3.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C5H12O/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;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;1-7(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;1-5(2)3-4-6/h12-13H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);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;5-6H,3-4H2,1-2H3.
What are the key properties of 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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?
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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 2048.17 g/mol, XLogP of 9.89, 22 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);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 160827721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).