1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine

C20H32FN3 — CID 135160132

IUPAC1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
SMILESC=CC1=CN(CCC)C(/C(F)=C(\C)N2CC(C)NC(C)C2)=C(C)C1
InChIInChI=1S/C20H32FN3/c1-7-9-23-13-18(8-2)10-14(3)20(23)19(21)17(6)24-11-15(4)22-16(5)12-24/h8,13,15-16,22H,2,7,9-12H2,1,3-6H3/b19-17-
InChIKeyCHEUXGBSZVTQBS-ZPHPHTNESA-N
MW333.50 g/mol
LogP4.33
Rot. Bonds5

About 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine

1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine (PubChem CID 135160132) has the molecular formula C20H32FN3 and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
PubChem CID135160132
Molecular FormulaC20H32FN3
Molecular Weight333.50 g/mol
Exact Mass333.26
IUPAC Name1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
SMILESC=CC1=CN(CCC)C(/C(F)=C(\C)N2CC(C)NC(C)C2)=C(C)C1
InChIInChI=1S/C20H32FN3/c1-7-9-23-13-18(8-2)10-14(3)20(23)19(21)17(6)24-11-15(4)22-16(5)12-24/h8,13,15-16,22H,2,7,9-12H2,1,3-6H3/b19-17-
InChIKeyCHEUXGBSZVTQBS-ZPHPHTNESA-N
XLogP4.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine (CID 135160132) is 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine is C=CC1=CN(CCC)C(/C(F)=C(\C)N2CC(C)NC(C)C2)=C(C)C1.
What is the InChIKey of 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine?
The InChIKey is CHEUXGBSZVTQBS-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H32FN3/c1-7-9-23-13-18(8-2)10-14(3)20(23)19(21)17(6)24-11-15(4)22-16(5)12-24/h8,13,15-16,22H,2,7,9-12H2,1,3-6H3/b19-17-.
What are the key properties of 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine?
1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine has a molecular weight of 333.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine is sourced from PubChem (CID 135160132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).