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

C17H33N3 — CID 79939774

IUPAC3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCN1CCC(N2CC3CCCN3CC2CC)CC1
InChIInChI=1S/C17H33N3/c1-3-9-18-11-7-16(8-12-18)20-14-17-6-5-10-19(17)13-15(20)4-2/h15-17H,3-14H2,1-2H3
InChIKeyHGQFXQDJPYWCLG-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.42
Rot. Bonds4

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

3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939774) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939774
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCCN1CCC(N2CC3CCCN3CC2CC)CC1
InChIInChI=1S/C17H33N3/c1-3-9-18-11-7-16(8-12-18)20-14-17-6-5-10-19(17)13-15(20)4-2/h15-17H,3-14H2,1-2H3
InChIKeyHGQFXQDJPYWCLG-UHFFFAOYSA-N
XLogP2.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[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

Related Compounds

3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923995
3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925986
3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923618
4-[2-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]thiomorpholine
CID 103857691
(3S)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 30982597
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 63252510
2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
8-ethyl-9-(1-propylpiperidin-4-yl)-6,9-diazaspiro[4.5]decane
CID 64946301
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939774) is 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCCN1CCC(N2CC3CCCN3CC2CC)CC1.
What is the InChIKey of 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is HGQFXQDJPYWCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-9-18-11-7-16(8-12-18)20-14-17-6-5-10-19(17)13-15(20)4-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(1-propylpiperidin-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, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).