2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)

C20H42N4 — CID 158552360

IUPAC2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCN2CCCC2C1
InChIInChI=1S/C8H16N2.2C6H13N/c1-9-5-6-10-4-2-3-8(10)7-9;2*1-7-5-3-2-4-6-7/h8H,2-7H2,1H3;2*2-6H2,1H3
InChIKeyHPWLKUMWHBYNJD-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.60
Rot. Bonds

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

2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) (PubChem CID 158552360) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine).

Molecular Properties

Compound Name2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
PubChem CID158552360
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC Name2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCN2CCCC2C1
InChIInChI=1S/C8H16N2.2C6H13N/c1-9-5-6-10-4-2-3-8(10)7-9;2*1-7-5-3-2-4-6-7/h8H,2-7H2,1H3;2*2-6H2,1H3
InChIKeyHPWLKUMWHBYNJD-UHFFFAOYSA-N
XLogP2.60
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) with MolForge

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Related Compounds

bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 163491864
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]hexan-1-ol
CID 71861093
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
1-(1-methylazepan-4-yl)piperidin-4-amine
CID 65074908
1-cyclopropyl-4-methylpiperazine;1,2,4-trimethylpiperazine
CID 142374718
1-azabicyclo[9.1.0]dodecane
CID 87228787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)?
The IUPAC name of 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) (CID 158552360) is 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine).
What is the SMILES notation for 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)?
The canonical SMILES for 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) is CN1CCCCC1.CN1CCCCC1.CN1CCN2CCCC2C1.
What is the InChIKey of 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)?
The InChIKey is HPWLKUMWHBYNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C6H13N/c1-9-5-6-10-4-2-3-8(10)7-9;2*1-7-5-3-2-4-6-7/h8H,2-7H2,1H3;2*2-6H2,1H3.
What are the key properties of 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)?
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) has a molecular weight of 338.58 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine) is sourced from PubChem (CID 158552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).