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

C14H26N2 — CID 170371704

IUPAC5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CCCN(C)C3)CC2C1
InChIInChI=1S/C14H26N2/c1-11-6-12-8-16(9-13(12)7-11)14-4-3-5-15(2)10-14/h11-14H,3-10H2,1-2H3
InChIKeyQEUPUFCFAUSKGG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.06
Rot. Bonds1

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

5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 170371704) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID170371704
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CCCN(C)C3)CC2C1
InChIInChI=1S/C14H26N2/c1-11-6-12-8-16(9-13(12)7-11)14-4-3-5-15(2)10-14/h11-14H,3-10H2,1-2H3
InChIKeyQEUPUFCFAUSKGG-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 170371704) is 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CC2CN(C3CCCN(C)C3)CC2C1.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is QEUPUFCFAUSKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11-6-12-8-16(9-13(12)7-11)14-4-3-5-15(2)10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 222.38 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 170371704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).