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3-methyl-1-(piperazin-1-yl)butan-1-one

3-methyl-1-(piperazin-1-yl)butan-1-one

CAS: 884497-54-5

Formula: C9H18N2O

SMILES: CC(C)CC(=O)N1CCNCC1

IUPAC: 3-methyl-1-(piperazin-1-yl)butan-1-one

InChI: InChI=1S/C9H18N2O/c1-8(2)7-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3

Composition: C (63.49%), H (10.66%), N (16.45%), O (9.40%)

Molar Mass: 170.256

Atom Count: 30

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 170.141913208
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OHUHHACSCXRQJS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.79
Topological Polar Surface Area 32.34
Polarizability 19.31
Ring Count 1
Rotatable Bond Count 2

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95% <6 Days 884497-54-5 $665.85-$5,892.60$665.85$967.15$1,377.70$1,979.15$2,881.90$4,250.40$5,892.60
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