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

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

CAS: 860787-10-6

Formula: C16H18ClN3

SMILES: ClC1=NC=C(CN2CCN(CC2)C2=CC=CC=C2)C=C1

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

InChI: InChI=1S/C16H18ClN3/c17-16-7-6-14(12-18-16)13-19-8-10-20(11-9-19)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2

Composition: C (66.78%), H (6.30%), Cl (12.32%), N (14.60%)

Molar Mass: 287.79

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.1189253
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PTUJECVYMIOYMK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.86
Topological Polar Surface Area 19.37
Polarizability 32.1
Ring Count 3
Rotatable Bond Count 3

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95% <2 Days 860787-10-6 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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