2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde

C17H36N4O — CID 161049426

IUPAC2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)CC1C.CC(C)N1CCNCC1C
InChIInChI=1S/C9H18N2O.C8H18N2/c1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)10-5-4-9-6-8(10)3/h7-9H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyUBXYETRMAJTKDL-UHFFFAOYSA-N
MW312.50 g/mol
LogP1.25
Rot. Bonds3

About 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde

2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde (PubChem CID 161049426) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde
PubChem CID161049426
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde
SMILESCC(C)N1CCN(C=O)CC1C.CC(C)N1CCNCC1C
InChIInChI=1S/C9H18N2O.C8H18N2/c1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)10-5-4-9-6-8(10)3/h7-9H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyUBXYETRMAJTKDL-UHFFFAOYSA-N
XLogP1.25
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Formyl-2,6-dimethyl-piperazin-1-yl)ethyl]-3,5-dimethyl-piperazine-1-carbaldehyde
CID 251553
4-[2-(4-Formyl-2,5-dimethylpiperazin-1-yl)ethyl]-2,5-dimethylpiperazine-1-carbaldehyde
CID 247527
4-(2-Aminopropyl)piperazine-1-carbaldehyde
CID 21054639
3-(2-Piperazin-1-ylethylamino)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 57673022
1-(4-Butan-2-ylpiperazin-1-yl)-3-(2-piperazin-1-ylethylamino)propan-1-one
CID 70834605
N-(1-piperazin-1-ylpropan-2-yl)formamide
CID 82503267
N-[2-(4-methylpiperazin-1-yl)propyl]formamide
CID 87675606
N-[2-(3,5-dimethylpiperazin-1-yl)ethyl]formamide
CID 87904721
N-[3-(3,5-dimethylpiperazin-1-yl)propyl]formamide
CID 88044208
2,5-Dimethylpiperazine-1-carbaldehyde;ethane
CID 141880762
ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
CID 142391074
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]formamide
CID 142778808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde?
The IUPAC name of 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde (CID 161049426) is 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde is CC(C)N1CCN(C=O)CC1C.CC(C)N1CCNCC1C.
What is the InChIKey of 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde?
The InChIKey is UBXYETRMAJTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C8H18N2/c1-8(2)11-5-4-10(7-12)6-9(11)3;1-7(2)10-5-4-9-6-8(10)3/h7-9H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde?
2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde has a molecular weight of 312.50 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 161049426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).