3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H33N3 — CID 79934877

IUPAC3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1CCCC1CCCNC1
InChIInChI=1S/C17H33N3/c1-15-13-20-10-3-2-8-17(20)14-19(15)11-5-7-16-6-4-9-18-12-16/h15-18H,2-14H2,1H3
InChIKeySJJWMIOREDPZNS-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds4

About 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79934877) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79934877
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1CCCC1CCCNC1
InChIInChI=1S/C17H33N3/c1-15-13-20-10-3-2-8-17(20)14-19(15)11-5-7-16-6-4-9-18-12-16/h15-18H,2-14H2,1H3
InChIKeySJJWMIOREDPZNS-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[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

2-(2-piperidin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79932356
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
3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938047
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
2-amino-2-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanamide
CID 79934992
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
2-amino-2-ethyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanenitrile
CID 106803860
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79934877) is 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1CCCC1CCCNC1.
What is the InChIKey of 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is SJJWMIOREDPZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15-13-20-10-3-2-8-17(20)14-19(15)11-5-7-16-6-4-9-18-12-16/h15-18H,2-14H2,1H3.
What are the key properties of 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79934877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).