1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C63H144N12O5 — CID 157451595

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC.CC.CC.CC.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(N2CCN(C)CC2)CC1.CN1CCC(C)(O)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2O.C7H16N2O.C7H15NO.C6H14N2.C6H13NO.C6H15NO.4C2H6/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;1-8-2-4-9(5-3-8)6-7-10;1-7(9)3-5-8(2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(2)7(3)4-5-8;4*1-2/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);10H,2-7H2,1H3;9H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;4*1-2H3
InChIKeyBSWCFKNEITWEQW-UHFFFAOYSA-N
MW1149.92 g/mol
LogP6.01
Rot. Bonds9

About 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 157451595) has the molecular formula C63H144N12O5 and a molecular weight of 1149.92 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID157451595
Molecular FormulaC63H144N12O5
Molecular Weight1149.92 g/mol
Exact Mass1149.14
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC.CC.CC.CC.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(N2CCN(C)CC2)CC1.CN1CCC(C)(O)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2O.C7H16N2O.C7H15NO.C6H14N2.C6H13NO.C6H15NO.4C2H6/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;1-8-2-4-9(5-3-8)6-7-10;1-7(9)3-5-8(2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(2)7(3)4-5-8;4*1-2/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);10H,2-7H2,1H3;9H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;4*1-2H3
InChIKeyBSWCFKNEITWEQW-UHFFFAOYSA-N
XLogP6.01
TPSA145.66 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.92
LogP ≤ 56.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 157451595) is 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC.CC.CC.CC.CC(C)C(=O)NC1CCN(C)CC1.CC(C)N(C)CCO.CC(C)N1CCC(N2CCN(C)CC2)CC1.CN1CCC(C)(O)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is BSWCFKNEITWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C10H20N2O.C7H16N2O.C7H15NO.C6H14N2.C6H13NO.C6H15NO.4C2H6/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;1-8-2-4-9(5-3-8)6-7-10;1-7(9)3-5-8(2)6-4-7;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6(2)7(3)4-5-8;4*1-2/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);10H,2-7H2,1H3;9H,3-6H2,1-2H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6,8H,4-5H2,1-3H3;4*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 1149.92 g/mol, XLogP of 6.01, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 157451595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).