14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene

C21H23FN2 — CID 57122716

IUPAC14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene
SMILESCc1ccc2c(c1)CN=C1CC=CC(F)=CC(=C3CCNCC3)C12
InChIInChI=1S/C21H23FN2/c1-14-5-6-18-16(11-14)13-24-20-4-2-3-17(22)12-19(21(18)20)15-7-9-23-10-8-15/h2-3,5-6,11-12,21,23H,4,7-10,13H2,1H3
InChIKeyQLYWXNOVYDLJKU-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.53
Rot. Bonds

About 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene

14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene (PubChem CID 57122716) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene.

Molecular Properties

Compound Name14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene
PubChem CID57122716
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene
SMILESCc1ccc2c(c1)CN=C1CC=CC(F)=CC(=C3CCNCC3)C12
InChIInChI=1S/C21H23FN2/c1-14-5-6-18-16(11-14)13-24-20-4-2-3-17(22)12-19(21(18)20)15-7-9-23-10-8-15/h2-3,5-6,11-12,21,23H,4,7-10,13H2,1H3
InChIKeyQLYWXNOVYDLJKU-UHFFFAOYSA-N
XLogP4.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene?
The IUPAC name of 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene (CID 57122716) is 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene.
What is the SMILES notation for 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene?
The canonical SMILES for 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene is Cc1ccc2c(c1)CN=C1CC=CC(F)=CC(=C3CCNCC3)C12.
What is the InChIKey of 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene?
The InChIKey is QLYWXNOVYDLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-14-5-6-18-16(11-14)13-24-20-4-2-3-17(22)12-19(21(18)20)15-7-9-23-10-8-15/h2-3,5-6,11-12,21,23H,4,7-10,13H2,1H3.
What are the key properties of 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene?
14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene has a molecular weight of 322.43 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene is sourced from PubChem (CID 57122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).