6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine

C22H45N5 — CID 144686132

IUPAC6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine
SMILESCN1CC2CCCNC2C1.CN1CC2CCNCC2C1.CN1CCCCC1
InChIInChI=1S/2C8H16N2.C6H13N/c1-10-5-7-2-3-9-4-8(7)6-10;1-10-5-7-3-2-4-9-8(7)6-10;1-7-5-3-2-4-6-7/h2*7-9H,2-6H2,1H3;2-6H2,1H3
InChIKeyWNHRGFRHPVEGPF-UHFFFAOYSA-N
MW379.64 g/mol
LogP1.56
Rot. Bonds

About 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine

6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine (PubChem CID 144686132) has the molecular formula C22H45N5 and a molecular weight of 379.64 g/mol. Its IUPAC name is 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine.

Molecular Properties

Compound Name6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine
PubChem CID144686132
Molecular FormulaC22H45N5
Molecular Weight379.64 g/mol
Exact Mass379.37
IUPAC Name6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine
SMILESCN1CC2CCCNC2C1.CN1CC2CCNCC2C1.CN1CCCCC1
InChIInChI=1S/2C8H16N2.C6H13N/c1-10-5-7-2-3-9-4-8(7)6-10;1-10-5-7-3-2-4-9-8(7)6-10;1-7-5-3-2-4-6-7/h2*7-9H,2-6H2,1H3;2-6H2,1H3
InChIKeyWNHRGFRHPVEGPF-UHFFFAOYSA-N
XLogP1.56
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine?
The IUPAC name of 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine (CID 144686132) is 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine.
What is the SMILES notation for 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine?
The canonical SMILES for 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine is CN1CC2CCCNC2C1.CN1CC2CCNCC2C1.CN1CCCCC1.
What is the InChIKey of 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine?
The InChIKey is WNHRGFRHPVEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C6H13N/c1-10-5-7-2-3-9-4-8(7)6-10;1-10-5-7-3-2-4-9-8(7)6-10;1-7-5-3-2-4-6-7/h2*7-9H,2-6H2,1H3;2-6H2,1H3.
What are the key properties of 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine?
6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine has a molecular weight of 379.64 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-methyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;1-methylpiperidine is sourced from PubChem (CID 144686132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).