methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol

C70H164N12O5 — CID 159074663

IUPACmethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
SMILESC.C.C.C.C.C.C.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2O.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO.7CH4/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;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(3)4-5-8;;;;;;;/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3;7*1H4
InChIKeyKACCWRAUTBEGQF-UHFFFAOYSA-N
MW1254.16 g/mol
LogP9.47
Rot. Bonds13

About methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol

methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol (PubChem CID 159074663) has the molecular formula C70H164N12O5 and a molecular weight of 1254.16 g/mol. Its IUPAC name is methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Namemethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
PubChem CID159074663
Molecular FormulaC70H164N12O5
Molecular Weight1254.16 g/mol
Exact Mass1253.29
IUPAC Namemethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
SMILESC.C.C.C.C.C.C.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2O.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO.7CH4/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;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(3)4-5-8;;;;;;;/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3;7*1H4
InChIKeyKACCWRAUTBEGQF-UHFFFAOYSA-N
XLogP9.47
TPSA145.66 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.16
LogP ≤ 59.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol (CID 159074663) is methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol is C.C.C.C.C.C.C.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1.
What is the InChIKey of methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The InChIKey is KACCWRAUTBEGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C10H20N2O.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO.7CH4/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;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(3)4-5-8;;;;;;;/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3;7*1H4.
What are the key properties of methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol has a molecular weight of 1254.16 g/mol, XLogP of 9.47, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 159074663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).