CN1CCN(CC1)C(=O)C2=CC(=CC=C2)N
CAS: 160647-73-4
Name: (3-aminophenyl)-(4-methylpiperazin-1-yl)methanone
SMILES: CN1CCN(CC1)C(=O)C2=CC(=CC=C2)N

Molecular Processing

Molecular formula
C12H17N3O
Molecular weight
219.29
Exact mass
219.1372
XLogP
0.66
TPSA
49.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.25

Supplementary Information

InChIKey: ZULOTYWZYPALJU-UHFFFAOYSA-N
Synonyme
3-[(4-methyl-1-piperazinyl)carbonyl]aniline3-((4-Methyl-1-piperazinyl)carbonyl)anilineRefChem:488668800-558-2160647-73-4(3-aminophenyl)(4-methylpiperazin-1-yl)methanone(3-aminophenyl)(4-methyl-1-piperazinyl)methanone(3-aminophenyl)-(4-methylpiperazin-1-yl)methanoneMFCD090455563-(4-methylpiperazine-1-carbonyl)aniline(3-Amino-phenyl)-(4-methyl-piperazin-1-yl)-methanone3-aminophenyl 4-methylpiperazinyl ketone3-[(4-methylpiperazin-1-yl)carbonyl]anilineSCHEMBL520565SCHEMBL17728836DTXSID00588232ZULOTYWZYPALJU-UHFFFAOYSA-NALBB-012031SBB051055STK948184AKOS000111611AB87245DA-18568SY404766CS-0312891ST45051659F80174F220148
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