1-benzyl-4-(nitromethyl)piperidin-4-ol

1-benzyl-4-(nitromethyl)piperidin-4-ol

CAS: 34259-89-7

Formula: C13H18N2O3

SMILES: OC1(C[N+]([O-])=O)CCN(CC2=CC=CC=C2)CC1

IUPAC: 1-benzyl-4-(nitromethyl)piperidin-4-ol

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

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	0
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KROYZEIFJNHYOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.83
Topological Polar Surface Area	66.61
Polarizability	26.54
Ring Count	2
Rotatable Bond Count	4

Suppliers

Shanghai AQ BioPharma Co., Ltd.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<8 Days	34259-89-7		$97.14-$1,398.86$97.14$291.43$466.29$874.29$1,398.86