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2-(piperazin-1-ylmethyl)benzonitrile

2-(piperazin-1-ylmethyl)benzonitrile

CAS: 174609-74-6

Formula: C12H15N3

SMILES: N#CC1=CC=CC=C1CN1CCNCC1

IUPAC: 2-[(piperazin-1-yl)methyl]benzonitrile

InChI: InChI=1S/C12H15N3/c13-9-11-3-1-2-4-12(11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2

Composition: C (71.61%), H (7.51%), N (20.88%)

Molar Mass: 201.273

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.126597495
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DVUNFWADPIWIAY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.08
Topological Polar Surface Area 39.06
Polarizability 23.71
Ring Count 2
Rotatable Bond Count 2

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