2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine

C27H57N5O2 — CID 157179027

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H20N2.C9H19NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyAOIWSZWAUMUBLV-UHFFFAOYSA-N
MW483.79 g/mol
LogP2.81
Rot. Bonds5

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine (PubChem CID 157179027) has the molecular formula C27H57N5O2 and a molecular weight of 483.79 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine
PubChem CID157179027
Molecular FormulaC27H57N5O2
Molecular Weight483.79 g/mol
Exact Mass483.45
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine
SMILESCC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)OC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C9H20N2.C9H19NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyAOIWSZWAUMUBLV-UHFFFAOYSA-N
XLogP2.81
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.79
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine (CID 157179027) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine is CC(C)C(=O)N1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CC(C)OC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine?
The InChIKey is AOIWSZWAUMUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H20N2.C9H19NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;1-8(2)11-9-4-6-10(3)7-5-9/h8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine has a molecular weight of 483.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 157179027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).