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

C12H21N3 — CID 176569355

IUPAC1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESC1=C(C2NCN3CCCCC23)CNCC1
InChIInChI=1S/C12H21N3/c1-2-7-15-9-14-12(11(15)5-1)10-4-3-6-13-8-10/h4,11-14H,1-3,5-9H2
InChIKeyDWLWCVXCPGRHRJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.69
Rot. Bonds1

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

1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (PubChem CID 176569355) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
PubChem CID176569355
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESC1=C(C2NCN3CCCCC23)CNCC1
InChIInChI=1S/C12H21N3/c1-2-7-15-9-14-12(11(15)5-1)10-4-3-6-13-8-10/h4,11-14H,1-3,5-9H2
InChIKeyDWLWCVXCPGRHRJ-UHFFFAOYSA-N
XLogP0.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.69
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

(3R,4aR)-3-cyclohexa-1,3-dien-1-yl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 137295451
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1-[3-(Imidazolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
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1-[(E)-3-(1-imidazolidin-1-ylethyl)pent-3-en-2-yl]-2-methylpiperidine
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1-[(E)-4-(imidazolidin-1-ylmethyl)hept-4-en-2-yl]piperidine
CID 70165284
2-Cyclohexa-1,3-dien-1-yl-3,5-dimethyl-1,2,3a,6,7,7a-hexahydrobenzimidazole
CID 70856834
2-(2,5-dihydro-1H-pyrrol-2-yl)-2-pyrrolidin-1-ylpiperidine
CID 90928669
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
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
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
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-(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-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (CID 176569355) is 1-(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-(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-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine is C1=C(C2NCN3CCCCC23)CNCC1.
What is the InChIKey of 1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The InChIKey is DWLWCVXCPGRHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-7-15-9-14-12(11(15)5-1)10-4-3-6-13-8-10/h4,11-14H,1-3,5-9H2.
What are the key properties of 1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
1-(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 207.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(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 176569355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).