1-benzyl-4-methylpiperazine;formic acid

C13H20N2O2 — CID 54605116

IUPAC1-benzyl-4-methylpiperazine;formic acid
SMILESCN1CCN(Cc2ccccc2)CC1.O=CO
InChIInChI=1S/C12H18N2.CH2O2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;2-1-3/h2-6H,7-11H2,1H3;1H,(H,2,3)
InChIKeySLEBLQCSUMXUMW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds2

About 1-benzyl-4-methylpiperazine;formic acid

1-benzyl-4-methylpiperazine;formic acid (PubChem CID 54605116) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;formic acid.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine;formic acid
PubChem CID54605116
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1-benzyl-4-methylpiperazine;formic acid
SMILESCN1CCN(Cc2ccccc2)CC1.O=CO
InChIInChI=1S/C12H18N2.CH2O2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;2-1-3/h2-6H,7-11H2,1H3;1H,(H,2,3)
InChIKeySLEBLQCSUMXUMW-UHFFFAOYSA-N
XLogP1.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
bis(1-benzyl-4-methylpiperazine);ethane;methanol;methoxyethane;propane
CID 162104862
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;dihydrochloride
CID 87711425
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;formic acid?
The IUPAC name of 1-benzyl-4-methylpiperazine;formic acid (CID 54605116) is 1-benzyl-4-methylpiperazine;formic acid.
What is the SMILES notation for 1-benzyl-4-methylpiperazine;formic acid?
The canonical SMILES for 1-benzyl-4-methylpiperazine;formic acid is CN1CCN(Cc2ccccc2)CC1.O=CO.
What is the InChIKey of 1-benzyl-4-methylpiperazine;formic acid?
The InChIKey is SLEBLQCSUMXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.CH2O2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;2-1-3/h2-6H,7-11H2,1H3;1H,(H,2,3).
What are the key properties of 1-benzyl-4-methylpiperazine;formic acid?
1-benzyl-4-methylpiperazine;formic acid has a molecular weight of 236.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine;formic acid is sourced from PubChem (CID 54605116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).