(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C17H34N4 — CID 98741869

IUPAC(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC(C)N1CCC(CN2CCN3CCN(C)C[C@H]3C2)CC1
InChIInChI=1S/C17H34N4/c1-15(2)20-6-4-16(5-7-20)12-19-9-11-21-10-8-18(3)13-17(21)14-19/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyZUWMMWASXDKCJA-KRWDZBQOSA-N
MW294.49 g/mol
LogP1.04
Rot. Bonds3

About (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 98741869) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID98741869
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC(C)N1CCC(CN2CCN3CCN(C)C[C@H]3C2)CC1
InChIInChI=1S/C17H34N4/c1-15(2)20-6-4-16(5-7-20)12-19-9-11-21-10-8-18(3)13-17(21)14-19/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyZUWMMWASXDKCJA-KRWDZBQOSA-N
XLogP1.04
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 98741869) is (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CC(C)N1CCC(CN2CCN3CCN(C)C[C@H]3C2)CC1.
What is the InChIKey of (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is ZUWMMWASXDKCJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N4/c1-15(2)20-6-4-16(5-7-20)12-19-9-11-21-10-8-18(3)13-17(21)14-19/h15-17H,4-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 294.49 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 98741869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).