1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine

C17H29FN2 — CID 143279373

IUPAC1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine
SMILESC=C/C(CN1CCC(N2CCCCC2C)CC1)=C(\C)F
InChIInChI=1S/C17H29FN2/c1-4-16(15(3)18)13-19-11-8-17(9-12-19)20-10-6-5-7-14(20)2/h4,14,17H,1,5-13H2,2-3H3/b16-15-
InChIKeyTUXCHOLVOWKJJO-NXVVXOECSA-N
MW280.43 g/mol
LogP3.75
Rot. Bonds4

About 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine

1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine (PubChem CID 143279373) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine
PubChem CID143279373
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine
SMILESC=C/C(CN1CCC(N2CCCCC2C)CC1)=C(\C)F
InChIInChI=1S/C17H29FN2/c1-4-16(15(3)18)13-19-11-8-17(9-12-19)20-10-6-5-7-14(20)2/h4,14,17H,1,5-13H2,2-3H3/b16-15-
InChIKeyTUXCHOLVOWKJJO-NXVVXOECSA-N
XLogP3.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine?
The IUPAC name of 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine (CID 143279373) is 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine is C=C/C(CN1CCC(N2CCCCC2C)CC1)=C(\C)F.
What is the InChIKey of 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine?
The InChIKey is TUXCHOLVOWKJJO-NXVVXOECSA-N. The full InChI is InChI=1S/C17H29FN2/c1-4-16(15(3)18)13-19-11-8-17(9-12-19)20-10-6-5-7-14(20)2/h4,14,17H,1,5-13H2,2-3H3/b16-15-.
What are the key properties of 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine?
1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine has a molecular weight of 280.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethenyl-3-fluorobut-2-enyl]-4-(2-methylpiperidin-1-yl)piperidine is sourced from PubChem (CID 143279373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).