1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one

1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one

CAS: 1119452-42-4

Formula: C16H22BrNO

SMILES: CCC(Br)C(=O)N1CCC(CC2=CC=CC=C2)CC1

IUPAC: 1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one

InChI: InChI=1/C16H22BrNO/c1-2-15(17)16(19)18-10-8-14(9-11-18)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3

Composition: C (59.27%), H (6.84%), Br (24.64%), N (4.32%), O (4.93%)

Molar Mass: 324.262

Atom Count: 41

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	323.088477
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AHRXIRJITLECJP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.4
Topological Polar Surface Area	20.31
Polarizability	31.76
Ring Count	2
Rotatable Bond Count	4

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