[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite

C16H23FN2O — CID 142416916

IUPAC[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite
SMILESCC1CC2=C(CC=CC=C2N2CCC(OF)CC2)CN1
InChIInChI=1S/C16H23FN2O/c1-12-10-15-13(11-18-12)4-2-3-5-16(15)19-8-6-14(20-17)7-9-19/h2-3,5,12,14,18H,4,6-11H2,1H3
InChIKeyFDMHHLUPYZKBDA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.87
Rot. Bonds2

About [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite

[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite (PubChem CID 142416916) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite.

Molecular Properties

Compound Name[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite
PubChem CID142416916
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite
SMILESCC1CC2=C(CC=CC=C2N2CCC(OF)CC2)CN1
InChIInChI=1S/C16H23FN2O/c1-12-10-15-13(11-18-12)4-2-3-5-16(15)19-8-6-14(20-17)7-9-19/h2-3,5,12,14,18H,4,6-11H2,1H3
InChIKeyFDMHHLUPYZKBDA-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite?
The IUPAC name of [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite (CID 142416916) is [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite.
What is the SMILES notation for [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite?
The canonical SMILES for [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite is CC1CC2=C(CC=CC=C2N2CCC(OF)CC2)CN1.
What is the InChIKey of [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite?
The InChIKey is FDMHHLUPYZKBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-10-15-13(11-18-12)4-2-3-5-16(15)19-8-6-14(20-17)7-9-19/h2-3,5,12,14,18H,4,6-11H2,1H3.
What are the key properties of [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite?
[1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite has a molecular weight of 278.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-2,3,4,9-tetrahydro-1H-cyclohepta[c]pyridin-5-yl)piperidin-4-yl] hypofluorite is sourced from PubChem (CID 142416916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).