benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

CAS: 191739-40-9

Formula: C13H18N2O3

SMILES: OCC1CN(CCN1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-(hydroxymethyl)piperazine-1-carboxylate

InChI: InChI=1/C13H18N2O3/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WYLJXEXNZWQHBJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.21
Topological Polar Surface Area	61.8
Polarizability	26.54
Ring Count	2
Rotatable Bond Count	4

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