1-{4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine

1-{4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine

CAS: 1627503-67-6

Formula: C25H29N3O3

SMILES: COC1=CC(=CC(OC)=C1OC)C1=C(C)N=CC(=C1)C1=CC=C(C=C1)N1CCNCC1

IUPAC: 1-{4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine

InChI: InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3

Composition: C (71.58%), H (6.97%), N (10.02%), O (11.44%)

Molar Mass: 419.525

Atom Count: 60

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	419.220891806
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BHUXVRVMMYAXKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.34
Topological Polar Surface Area	55.85
Polarizability	50.01
Ring Count	4
Rotatable Bond Count	6

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