2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H33N3 — CID 71162733

IUPAC2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1
InChIInChI=1S/C17H33N3/c1-4-17(2,3)20-10-7-15(8-11-20)19-13-12-18-9-5-6-16(18)14-19/h15-16H,4-14H2,1-3H3
InChIKeyFXHJDHZKQJPPJX-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 71162733) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID71162733
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1
InChIInChI=1S/C17H33N3/c1-4-17(2,3)20-10-7-15(8-11-20)19-13-12-18-9-5-6-16(18)14-19/h15-16H,4-14H2,1-3H3
InChIKeyFXHJDHZKQJPPJX-UHFFFAOYSA-N
XLogP2.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 71162733) is 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1.
What is the InChIKey of 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is FXHJDHZKQJPPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-17(2,3)20-10-7-15(8-11-20)19-13-12-18-9-5-6-16(18)14-19/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 279.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylbutan-2-yl)piperidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 71162733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).