5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H29N3 — CID 66242710

IUPAC5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CCC(N2CC3CNCC3C2(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-17-7-5-13(6-8-17)18-11-12-9-16-10-14(12)15(18,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyUAJUZHOHKPDCJC-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds2

About 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242710) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242710
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCN1CCC(N2CC3CNCC3C2(C)C)CC1
InChIInChI=1S/C15H29N3/c1-4-17-7-5-13(6-8-17)18-11-12-9-16-10-14(12)15(18,2)3/h12-14,16H,4-11H2,1-3H3
InChIKeyUAJUZHOHKPDCJC-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242710) is 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCN1CCC(N2CC3CNCC3C2(C)C)CC1.
What is the InChIKey of 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UAJUZHOHKPDCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-17-7-5-13(6-8-17)18-11-12-9-16-10-14(12)15(18,2)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 251.42 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-4-yl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).