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1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine

1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine

CAS: 612487-31-7

Formula: C11H16ClN3

SMILES: CN1CCN(CC2=CN=C(Cl)C=C2)CC1

IUPAC: 1-[(6-chloropyridin-3-yl)methyl]-4-methylpiperazine

InChI: InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3

Composition: C (58.53%), H (7.15%), Cl (15.71%), N (18.62%)

Molar Mass: 225.72

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.1032752
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GSWLWKFDOBMBAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.36
Topological Polar Surface Area 19.37
Polarizability 24.72
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 612487-31-7 $51.35-$269.85$51.35$63.37$86.31$180.26$269.85
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