tert-butyl 4-[2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

CAS: 904815-65-2

Formula: C18H28N2O4

SMILES: COC1=CC=C(C=C1)C(O)CN1CCN(CC1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-[2-hydroxy-2-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate

InChI: InChI=1/C18H28N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-16(21)14-5-7-15(23-4)8-6-14/h5-8,16,21H,9-13H2,1-4H3

Composition: C (64.26%), H (8.39%), N (8.33%), O (19.02%)

Molar Mass: 336.432

Atom Count: 52

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	336.20490739
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GACSXPSYHLPYQG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.78
Topological Polar Surface Area	62.24
Polarizability	36.42
Ring Count	2
Rotatable Bond Count	6

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