6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one

C15H25FN4O — CID 176572194

IUPAC6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
SMILESO=C1NCCN2C3C(CC(F)CC13)NC2N1CCCCC1
InChIInChI=1S/C15H25FN4O/c16-10-8-11-13-12(9-10)18-15(19-5-2-1-3-6-19)20(13)7-4-17-14(11)21/h10-13,15,18H,1-9H2,(H,17,21)
InChIKeyZZRQWYAEKIQAER-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.28
Rot. Bonds1

About 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one

6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one (PubChem CID 176572194) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one.

Molecular Properties

Compound Name6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
PubChem CID176572194
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one
SMILESO=C1NCCN2C3C(CC(F)CC13)NC2N1CCCCC1
InChIInChI=1S/C15H25FN4O/c16-10-8-11-13-12(9-10)18-15(19-5-2-1-3-6-19)20(13)7-4-17-14(11)21/h10-13,15,18H,1-9H2,(H,17,21)
InChIKeyZZRQWYAEKIQAER-UHFFFAOYSA-N
XLogP0.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The IUPAC name of 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one (CID 176572194) is 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one.
What is the SMILES notation for 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The canonical SMILES for 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one is O=C1NCCN2C3C(CC(F)CC13)NC2N1CCCCC1.
What is the InChIKey of 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
The InChIKey is ZZRQWYAEKIQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c16-10-8-11-13-12(9-10)18-15(19-5-2-1-3-6-19)20(13)7-4-17-14(11)21/h10-13,15,18H,1-9H2,(H,17,21).
What are the key properties of 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one?
6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one has a molecular weight of 296.39 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-piperidin-1-yl-1,3,10-triazatricyclo[6.4.1.04,13]tridecan-9-one is sourced from PubChem (CID 176572194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).