5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine

C19H38FN5 — CID 138646079

IUPAC5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine
SMILESCCCCC(C)N1CC(N)C(N2CCN3CCN(C)CC3C2)C(F)C1
InChIInChI=1S/C19H38FN5/c1-4-5-6-15(2)25-13-17(20)19(18(21)14-25)24-10-9-23-8-7-22(3)11-16(23)12-24/h15-19H,4-14,21H2,1-3H3
InChIKeyPYGPUIDJLHJWPR-UHFFFAOYSA-N
MW355.55 g/mol
LogP0.85
Rot. Bonds5

About 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine

5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine (PubChem CID 138646079) has the molecular formula C19H38FN5 and a molecular weight of 355.55 g/mol. Its IUPAC name is 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine
PubChem CID138646079
Molecular FormulaC19H38FN5
Molecular Weight355.55 g/mol
Exact Mass355.31
IUPAC Name5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine
SMILESCCCCC(C)N1CC(N)C(N2CCN3CCN(C)CC3C2)C(F)C1
InChIInChI=1S/C19H38FN5/c1-4-5-6-15(2)25-13-17(20)19(18(21)14-25)24-10-9-23-8-7-22(3)11-16(23)12-24/h15-19H,4-14,21H2,1-3H3
InChIKeyPYGPUIDJLHJWPR-UHFFFAOYSA-N
XLogP0.85
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine (CID 138646079) is 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine is CCCCC(C)N1CC(N)C(N2CCN3CCN(C)CC3C2)C(F)C1.
What is the InChIKey of 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine?
The InChIKey is PYGPUIDJLHJWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38FN5/c1-4-5-6-15(2)25-13-17(20)19(18(21)14-25)24-10-9-23-8-7-22(3)11-16(23)12-24/h15-19H,4-14,21H2,1-3H3.
What are the key properties of 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine?
5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine has a molecular weight of 355.55 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-hexan-2-yl-4-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)piperidin-3-amine is sourced from PubChem (CID 138646079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).