CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C=O)CC1
Name: tert-butyl 4-(2-formylphenoxy)piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C=O)CC1

Molecular Processing

Molecular formula
C17H23NO4
Molecular weight
305.37
Exact mass
305.1627
XLogP
3.28
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
83.29

Supplementary Information

InChIKey: LRYMQBSZNWIAKP-UHFFFAOYSA-N
Synonyme
SCHEMBL1889385tert-butyl 4-(2-formylphenoxy)piperidine-1-carboxylateLRYMQBSZNWIAKP-UHFFFAOYSA-N
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