N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine

C13H21N3O — CID 117343517

IUPACN-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCONCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3O/c1-15-7-9-16(10-8-15)13-6-4-3-5-12(13)11-14-17-2/h3-6,14H,7-11H2,1-2H3
InChIKeyIXADZCDCWHFPRW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.09
Rot. Bonds4

About N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine

N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 117343517) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID117343517
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCONCc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3O/c1-15-7-9-16(10-8-15)13-6-4-3-5-12(13)11-14-17-2/h3-6,14H,7-11H2,1-2H3
InChIKeyIXADZCDCWHFPRW-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 56517105
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
1-[2-[(methoxyamino)methyl]phenyl]piperazine-2,3-dione
CID 117375751
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 117343517) is N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine is CONCc1ccccc1N1CCN(C)CC1.
What is the InChIKey of N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is IXADZCDCWHFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-7-9-16(10-8-15)13-6-4-3-5-12(13)11-14-17-2/h3-6,14H,7-11H2,1-2H3.
What are the key properties of N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine?
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 117343517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).