1-tert-butyl 4-ethyl 3-[(1-phenylethyl)amino]piperidine-1,4-dicarboxylate

1-tert-butyl 4-ethyl 3-[(1-phenylethyl)amino]piperidine-1,4-dicarboxylate

CAS: 1016259-54-3

Formula: C21H32N2O4

SMILES: CCOC(=O)C1CCN(CC1NC(C)C1=CC=CC=C1)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 4-ethyl 3-[(1-phenylethyl)amino]piperidine-1,4-dicarboxylate

InChI: InChI=1/C21H32N2O4/c1-6-26-19(24)17-12-13-23(20(25)27-21(3,4)5)14-18(17)22-15(2)16-10-8-7-9-11-16/h7-11,15,17-18,22H,6,12-14H2,1-5H3

Composition: C (66.99%), H (8.57%), N (7.44%), O (17.00%)

Molar Mass: 376.497

Atom Count: 59

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	376.236207518
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MEQUVEFMYQSDPZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.26
Topological Polar Surface Area	67.87
Polarizability	41.41
Ring Count	2
Rotatable Bond Count	8

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