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

C16H31N3 — CID 70995672

IUPAC2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)19-9-6-14(7-10-19)18-12-11-17-8-4-5-15(17)13-18/h14-15H,4-13H2,1-3H3
InChIKeyCVOOXEPRGWFYHC-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds1

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

2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 70995672) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID70995672
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)19-9-6-14(7-10-19)18-12-11-17-8-4-5-15(17)13-18/h14-15H,4-13H2,1-3H3
InChIKeyCVOOXEPRGWFYHC-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 70995672) is 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)(C)N1CCC(N2CCN3CCCC3C2)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is CVOOXEPRGWFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,3)19-9-6-14(7-10-19)18-12-11-17-8-4-5-15(17)13-18/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 265.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 70995672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).