1-{4-[(2-chlorophenyl)methanesulfonylmethyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one

1-{4-[(2-chlorophenyl)methanesulfonylmethyl]-4-hydroxypiperidin-1-yl}-2,2-dimethylpropan-1-one

CAS: 865659-33-2

Formula: C18H26ClNO4S

SMILES: CC(C)(C)C(=O)N1CCC(O)(CS(=O)(=O)CC2=C(Cl)C=CC=C2)CC1

IUPAC: 1-(4-{[(2-chlorophenyl)methanesulfonyl]methyl}-4-hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one

InChI: InChI=1S/C18H26ClNO4S/c1-17(2,3)16(21)20-10-8-18(22,9-11-20)13-25(23,24)12-14-6-4-5-7-15(14)19/h4-7,22H,8-13H2,1-3H3

Composition: C (55.73%), H (6.76%), Cl (9.14%), N (3.61%), O (16.50%), S (8.26%)

Molar Mass: 387.92

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	387.1271072
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YJBPBQKKFDFBDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.98
Topological Polar Surface Area	74.68
Polarizability	39.61
Ring Count	2
Rotatable Bond Count	5

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90%	<2 Days	865659-33-2		$51.35-$524.40$51.35$63.37$86.31$524.40