1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine

C21H24N4 — CID 58911166

IUPAC1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cccc(N2CCNCC2)c1
InChIInChI=1S/C21H24N4/c1-4-17(15-20(7-1)25-12-10-22-11-13-25)14-18-5-3-9-24-21(18)19-6-2-8-23-16-19/h1-2,4,6-8,14-16,22H,3,5,9-13H2/b18-14+
InChIKeyYEUGOMSVUYPTDP-NBVRZTHBSA-N
MW332.45 g/mol
LogP3.16
Rot. Bonds3

About 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine

1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine (PubChem CID 58911166) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine
PubChem CID58911166
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cccc(N2CCNCC2)c1
InChIInChI=1S/C21H24N4/c1-4-17(15-20(7-1)25-12-10-22-11-13-25)14-18-5-3-9-24-21(18)19-6-2-8-23-16-19/h1-2,4,6-8,14-16,22H,3,5,9-13H2/b18-14+
InChIKeyYEUGOMSVUYPTDP-NBVRZTHBSA-N
XLogP3.16
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Anabasine
CID 205586
Pheniramine
CID 4761
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Azatadine
CID 19861
Lanicemine
CID 9794203
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
4-Piperazin-1-yl-quinoline
CID 1534386
2,4'-Bipyridine
CID 68488
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
BC-1215
CID 72201045

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine?
The IUPAC name of 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine (CID 58911166) is 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine?
The canonical SMILES for 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine is C(=C1\CCCN=C1c1cccnc1)\c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine?
The InChIKey is YEUGOMSVUYPTDP-NBVRZTHBSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-17(15-20(7-1)25-12-10-22-11-13-25)14-18-5-3-9-24-21(18)19-6-2-8-23-16-19/h1-2,4,6-8,14-16,22H,3,5,9-13H2/b18-14+.
What are the key properties of 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine?
1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine is sourced from PubChem (CID 58911166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).