2-bromo-1-(4-methylpiperidin-1-yl)butan-1-one

2-bromo-1-(4-methylpiperidin-1-yl)butan-1-one

CAS: 1119452-32-2

Formula: C10H18BrNO

SMILES: CCC(Br)C(=O)N1CCC(C)CC1

IUPAC: 2-bromo-1-(4-methylpiperidin-1-yl)butan-1-one

InChI: InChI=1/C10H18BrNO/c1-3-9(11)10(13)12-6-4-8(2)5-7-12/h8-9H,3-7H2,1-2H3

Composition: C (48.40%), H (7.31%), Br (32.20%), N (5.64%), O (6.45%)

Molar Mass: 248.164

Atom Count: 31

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	247.057177
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RNYWXFNNVKILRT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.7
Topological Polar Surface Area	20.31
Polarizability	22.35
Ring Count	1
Rotatable Bond Count	2

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