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

C13H24N2 — CID 115560129

IUPAC2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CNCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C13H24N2/c1-10-5-13(7-14-6-10)15-8-11-3-2-4-12(11)9-15/h10-14H,2-9H2,1H3
InChIKeyRSQNMUIYYOHEMJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.72
Rot. Bonds1

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

2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 115560129) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID115560129
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CNCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C13H24N2/c1-10-5-13(7-14-6-10)15-8-11-3-2-4-12(11)9-15/h10-14H,2-9H2,1H3
InChIKeyRSQNMUIYYOHEMJ-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
CID 114101785
3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine
CID 102965792
1-(5-methylpiperidin-3-yl)-4-propylpiperidine
CID 115373476
3-cycloheptyl-5-methylpiperidine
CID 106781026
3-(azetidin-3-yl)-1-cyclopropylpiperidine;hydrochloride
CID 166507443
3-(4-ethoxypiperidin-1-yl)-5-methylpiperidine
CID 115373405
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
2-methyl-1-(5-methylpiperidin-3-yl)azepane
CID 115373516
3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
CID 115373475

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 115560129) is 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CNCC(N2CC3CCCC3C2)C1.
What is the InChIKey of 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is RSQNMUIYYOHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-5-13(7-14-6-10)15-8-11-3-2-4-12(11)9-15/h10-14H,2-9H2,1H3.
What are the key properties of 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 208.35 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 115560129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).