5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C18H33N3 — CID 166934569

IUPAC5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CCN(C4CCCNC4)CC3)CC2C1
InChIInChI=1S/C18H33N3/c1-14-9-15-12-21(13-16(15)10-14)17-4-7-20(8-5-17)18-3-2-6-19-11-18/h14-19H,2-13H2,1H3
InChIKeyRYIONVVFQBZJLM-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.18
Rot. Bonds2

About 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 166934569) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID166934569
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CCN(C4CCCNC4)CC3)CC2C1
InChIInChI=1S/C18H33N3/c1-14-9-15-12-21(13-16(15)10-14)17-4-7-20(8-5-17)18-3-2-6-19-11-18/h14-19H,2-13H2,1H3
InChIKeyRYIONVVFQBZJLM-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

3-(3-methylazetidin-1-yl)piperidine
CID 79677319
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 131204117
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022405
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
1,4-diazabicyclo[6.2.0]decane
CID 118210284
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
CID 131048051
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
CID 145424394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 166934569) is 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CC2CN(C3CCN(C4CCCNC4)CC3)CC2C1.
What is the InChIKey of 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is RYIONVVFQBZJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14-9-15-12-21(13-16(15)10-14)17-4-7-20(8-5-17)18-3-2-6-19-11-18/h14-19H,2-13H2,1H3.
What are the key properties of 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 291.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 166934569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).