CC1CCCN(C1)CC2=CC(=CC=C2)OCCCCN
Nombre: 4-[3-[(3-methylpiperidin-1-yl)methyl]phenoxy]butan-1-amine
SMILES: CC1CCCN(C1)CC2=CC(=CC=C2)OCCCCN

Molecular Processing

Molecular formula
C17H28N2O
Molecular weight
276.42
Exact mass
276.2202
XLogP
3.04
TPSA
38.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
83.9

Supplementary Information

InChIKey: QTMWFBFGIPLXGZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL10672439QTMWFBFGIPLXGZ-UHFFFAOYSA-N4-[3-[(3-methylpiperidin-1-yl) methyl]phenoxy]-butanamine4-[3-[(3-Methylpiperidin-1-yl)methyl]phenoxy]butanamine
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