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

C16H31N3 — CID 79944035

IUPAC2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1(CN2CC3CCCN3CC2C)CCCNC1
InChIInChI=1S/C16H31N3/c1-3-16(7-5-8-17-12-16)13-19-11-15-6-4-9-18(15)10-14(19)2/h14-15,17H,3-13H2,1-2H3
InChIKeySXHCORYDEZSVKY-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds3

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

2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79944035) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79944035
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1(CN2CC3CCCN3CC2C)CCCNC1
InChIInChI=1S/C16H31N3/c1-3-16(7-5-8-17-12-16)13-19-11-15-6-4-9-18(15)10-14(19)2/h14-15,17H,3-13H2,1-2H3
InChIKeySXHCORYDEZSVKY-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 79933967
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
N-[[1-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79916334
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
3-methyl-2-[(2-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935549
1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cycloheptane-1-carbaldehyde
CID 79946281
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55224749
3-ethyl-3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]piperidine
CID 83219848
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanol
CID 79924665
N-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 79946020
1-[(3-ethylpiperidin-3-yl)methyl]azocane
CID 55166633

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79944035) is 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1(CN2CC3CCCN3CC2C)CCCNC1.
What is the InChIKey of 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SXHCORYDEZSVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-16(7-5-8-17-12-16)13-19-11-15-6-4-9-18(15)10-14(19)2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79944035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).