4-[3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-1-yl]benzonitrile

4-[3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-1-yl]benzonitrile

CAS: 298215-49-3

Formula: C15H17N3O

SMILES: CN1CCN(CC1)C(=O)C=CC1=CC=C(C=C1)C#N

IUPAC: 4-[3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-1-yl]benzonitrile

InChI: InChI=1S/C15H17N3O/c1-17-8-10-18(11-9-17)15(19)7-6-13-2-4-14(12-16)5-3-13/h2-7H,8-11H2,1H3

Composition: C (70.56%), H (6.71%), N (16.46%), O (6.27%)

Molar Mass: 255.321

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.137162179
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BXLRTOGUAJCKAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.45
Topological Polar Surface Area	47.34
Polarizability	28.65
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	298215-49-3		$51.35-$86.31$51.35$63.37$86.31