methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate

methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate

CAS: 154477-55-1

Formula: C33H39NO4

SMILES: COC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate

InChI: InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3

Composition: C (77.16%), H (7.65%), N (2.73%), O (12.46%)

Molar Mass: 513.678

Atom Count: 77

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	513.28790874
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PGQMZSGBFIPEKX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.02
Topological Polar Surface Area	66.84
Polarizability	59.38
Ring Count	4
Rotatable Bond Count	11

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