(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine

C10H15FN2 — CID 167225595

IUPAC(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine
SMILESC[C@@H]1CN2C=CCCC(F)=C2CN1
InChIInChI=1S/C10H15FN2/c1-8-7-13-5-3-2-4-9(11)10(13)6-12-8/h3,5,8,12H,2,4,6-7H2,1H3/t8-/m1/s1
InChIKeyCTSFSOMOCIQOCD-MRVPVSSYSA-N
MW182.24 g/mol
LogP1.77
Rot. Bonds

About (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine

(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine (PubChem CID 167225595) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine.

Molecular Properties

Compound Name(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine
PubChem CID167225595
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine
SMILESC[C@@H]1CN2C=CCCC(F)=C2CN1
InChIInChI=1S/C10H15FN2/c1-8-7-13-5-3-2-4-9(11)10(13)6-12-8/h3,5,8,12H,2,4,6-7H2,1H3/t8-/m1/s1
InChIKeyCTSFSOMOCIQOCD-MRVPVSSYSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine?
The IUPAC name of (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine (CID 167225595) is (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine.
What is the SMILES notation for (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine?
The canonical SMILES for (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine is C[C@@H]1CN2C=CCCC(F)=C2CN1.
What is the InChIKey of (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine?
The InChIKey is CTSFSOMOCIQOCD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8-7-13-5-3-2-4-9(11)10(13)6-12-8/h3,5,8,12H,2,4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine?
(3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine has a molecular weight of 182.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-fluoro-3-methyl-1,2,3,4,8,9-hexahydropyrazino[1,2-a]azepine is sourced from PubChem (CID 167225595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).