1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine

C15H25N3 — CID 142416840

IUPAC1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine
SMILESC=CC1=C(/C(=C\C)N2CCN(C)CC2)CCNC1
InChIInChI=1S/C15H25N3/c1-4-13-12-16-7-6-14(13)15(5-2)18-10-8-17(3)9-11-18/h4-5,16H,1,6-12H2,2-3H3/b15-5+
InChIKeyXRMKAJBMKCDLRB-PJQLUOCWSA-N
MW247.39 g/mol
LogP1.61
Rot. Bonds3

About 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine

1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine (PubChem CID 142416840) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine
PubChem CID142416840
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine
SMILESC=CC1=C(/C(=C\C)N2CCN(C)CC2)CCNC1
InChIInChI=1S/C15H25N3/c1-4-13-12-16-7-6-14(13)15(5-2)18-10-8-17(3)9-11-18/h4-5,16H,1,6-12H2,2-3H3/b15-5+
InChIKeyXRMKAJBMKCDLRB-PJQLUOCWSA-N
XLogP1.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine (CID 142416840) is 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine is C=CC1=C(/C(=C\C)N2CCN(C)CC2)CCNC1.
What is the InChIKey of 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine?
The InChIKey is XRMKAJBMKCDLRB-PJQLUOCWSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-13-12-16-7-6-14(13)15(5-2)18-10-8-17(3)9-11-18/h4-5,16H,1,6-12H2,2-3H3/b15-5+.
What are the key properties of 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine?
1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine has a molecular weight of 247.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine is sourced from PubChem (CID 142416840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).