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

C15H29N3 — CID 79938047

IUPAC3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1CCC1CCCCN1
InChIInChI=1S/C15H29N3/c1-13-11-18-9-4-6-15(18)12-17(13)10-7-14-5-2-3-8-16-14/h13-16H,2-12H2,1H3
InChIKeyZKNLENHDMBGRFE-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds3

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

3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79938047) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79938047
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1CCC1CCCCN1
InChIInChI=1S/C15H29N3/c1-13-11-18-9-4-6-15(18)12-17(13)10-7-14-5-2-3-8-16-14/h13-16H,2-12H2,1H3
InChIKeyZKNLENHDMBGRFE-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
2,3-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62124094
2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916068
2,4-dimethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 62331966
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]morpholine
CID 79935301
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
2-(2-cyclopentyloxyethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939800
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclohexanamine
CID 79047120

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79938047) is 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC1CN2CCCC2CN1CCC1CCCCN1.
What is the InChIKey of 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ZKNLENHDMBGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13-11-18-9-4-6-15(18)12-17(13)10-7-14-5-2-3-8-16-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79938047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).