tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate

tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate

CAS: 158985-37-6

Formula: C16H24N2O3

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(CO)C=C1

IUPAC: tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate

InChI: InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,19H,8-12H2,1-3H3

Composition: C (65.73%), H (8.27%), N (9.58%), O (16.42%)

Molar Mass: 292.379

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.178692641
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PXKYXTXYWJKTSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.05
Topological Polar Surface Area	53.01
Polarizability	31.67
Ring Count	2
Rotatable Bond Count	4

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