1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine

C13H23N3 — CID 176569291

IUPAC1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESC[C@@H]1C=C(C2NCN3CCCCC23)CNC1
InChIInChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)13-12-4-2-3-5-16(12)9-15-13/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m1/s1
InChIKeyWUFPIBMNYPZUIY-QFWMXSHPSA-N
MW221.35 g/mol
LogP0.94
Rot. Bonds1

About 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine

1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (PubChem CID 176569291) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
PubChem CID176569291
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESC[C@@H]1C=C(C2NCN3CCCCC23)CNC1
InChIInChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)13-12-4-2-3-5-16(12)9-15-13/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m1/s1
InChIKeyWUFPIBMNYPZUIY-QFWMXSHPSA-N
XLogP0.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 118448242
(6S)-2-fluoro-6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
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6-(Cyclohexen-1-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 175288420
6-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569091
3-[(3R)-3-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569151
6-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 176569165
5-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 176569340

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (CID 176569291) is 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine is C[C@@H]1C=C(C2NCN3CCCCC23)CNC1.
What is the InChIKey of 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The InChIKey is WUFPIBMNYPZUIY-QFWMXSHPSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-11(8-14-7-10)13-12-4-2-3-5-16(12)9-15-13/h6,10,12-15H,2-5,7-9H2,1H3/t10-,12?,13?/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine has a molecular weight of 221.35 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 176569291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).