CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC(C3)OC)N4CCN(CC4)C(=O)OC(C)(C)C)CC
Name: tert-butyl 4-[2-(4,4-diethylcyclohexyl)-4-[(3S)-3-methoxypiperidin-1-yl]phenyl]piperazine-1-carboxylate
SMILES: CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC(C3)OC)N4CCN(CC4)C(=O)OC(C)(C)C)CC

Molecular Processing

Molecular formula
C31H51N3O3
Molecular weight
513.77
Exact mass
513.393
XLogP
6.82
TPSA
45.25
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.774
Molar refractivity
152.93

Supplementary Information

InChIKey: NZYRMPCBGOZHFR-SANMLTNESA-N
Synonyme
SCHEMBL4860338NZYRMPCBGOZHFR-SANMLTNESA-N(S)-4-[2-(4,4-Diethylcyclohexyl)-4-(3-methoxypiperidin-1-yl)phenyl]piperazine-1-carboxylic acid t-butyl ester
Quelle anzeigen →
An 4 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→