tert-butyl 3-{[(4-aminophenyl)amino]methyl}piperidine-1-carboxylate

tert-butyl 3-{[(4-aminophenyl)amino]methyl}piperidine-1-carboxylate

CAS: 1159976-35-8

Formula: C17H27N3O2

SMILES: CC(C)(C)OC(=O)N1CCCC(CNC2=CC=C(N)C=C2)C1

IUPAC: tert-butyl 3-{[(4-aminophenyl)amino]methyl}piperidine-1-carboxylate

InChI: InChI=1/C17H27N3O2/c1-17(2,3)22-16(21)20-10-4-5-13(12-20)11-19-15-8-6-14(18)7-9-15/h6-9,13,19H,4-5,10-12,18H2,1-3H3

Composition: C (66.85%), H (8.91%), N (13.76%), O (10.48%)

Molar Mass: 305.422

Atom Count: 49

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	305.210327121
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DHGWCWNUTGCGDP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.82
Topological Polar Surface Area	67.59
Polarizability	34.04
Ring Count	2
Rotatable Bond Count	5

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