Name: (4-nitrophenyl)methyl 4-prop-2-ynylpiperidine-1-carboxylate
SMILES:
C#CCC1CCN(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]Molecular Processing
Molecular formula
C16H18N2O4
Molecular weight
302.33
Exact mass
302.1267
XLogP
2.97
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
81.03
Supplementary Information
InChIKey: VEIMOQKLELIUCZ-UHFFFAOYSA-N
Synonyme
SCHEMBL1243004VEIMOQKLELIUCZ-UHFFFAOYSA-N4-nitrobenzyl 4-(prop-2-ynyl)piperidine-1-carboxylate4-(nitro)benzyl 4-(prop-2-ynyl)piperidine-1-carboxylate
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