(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine

C16H22FN3 — CID 134291882

IUPAC(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine
SMILESC=C1/C=C\C=C(\F)CC(C2CCNCC2)N2C=NCC12
InChIInChI=1S/C16H22FN3/c1-12-3-2-4-14(17)9-15(13-5-7-18-8-6-13)20-11-19-10-16(12)20/h2-4,11,13,15-16,18H,1,5-10H2/b3-2-,14-4+
InChIKeyUBHLUZZTJQJOQL-BKLDTBNZSA-N
MW275.37 g/mol
LogP2.44
Rot. Bonds1

About (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine

(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine (PubChem CID 134291882) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine.

Molecular Properties

Compound Name(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine
PubChem CID134291882
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine
SMILESC=C1/C=C\C=C(\F)CC(C2CCNCC2)N2C=NCC12
InChIInChI=1S/C16H22FN3/c1-12-3-2-4-14(17)9-15(13-5-7-18-8-6-13)20-11-19-10-16(12)20/h2-4,11,13,15-16,18H,1,5-10H2/b3-2-,14-4+
InChIKeyUBHLUZZTJQJOQL-BKLDTBNZSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine?
The IUPAC name of (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine (CID 134291882) is (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine.
What is the SMILES notation for (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine?
The canonical SMILES for (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine is C=C1/C=C\C=C(\F)CC(C2CCNCC2)N2C=NCC12.
What is the InChIKey of (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine?
The InChIKey is UBHLUZZTJQJOQL-BKLDTBNZSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12-3-2-4-14(17)9-15(13-5-7-18-8-6-13)20-11-19-10-16(12)20/h2-4,11,13,15-16,18H,1,5-10H2/b3-2-,14-4+.
What are the key properties of (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine?
(7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine has a molecular weight of 275.37 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9Z)-7-fluoro-11-methylidene-5-piperidin-4-yl-1,5,6,11a-tetrahydroimidazo[1,5-a]azonine is sourced from PubChem (CID 134291882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).