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1-[(3-chlorophenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

1-[(3-chlorophenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

Formula: C17H18ClN3O

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

IUPAC: 1-[(3-chlorophenyl)methyl]-4-(pyridine-4-carbonyl)piperazine

InChI: InChI=1S/C17H18ClN3O/c18-16-3-1-2-14(12-16)13-20-8-10-21(11-9-20)17(22)15-4-6-19-7-5-15/h1-7,12H,8-11,13H2

Composition: C (64.66%), H (5.75%), Cl (11.23%), N (13.31%), O (5.07%)

Molar Mass: 315.8

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.1138399
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WLERWLQEZNBFNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.24
Topological Polar Surface Area 36.44
Polarizability 33.72
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H18ClN3O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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