5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C14H26N2O — CID 166542556

IUPAC5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCC1(C)CC(CN2CC3COCC3C2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(2)5-11(3-4-15-14)6-16-7-12-9-17-10-13(12)8-16/h11-13,15H,3-10H2,1-2H3
InChIKeyOALDMJWWMFCCLX-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.34
Rot. Bonds2

About 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 166542556) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID166542556
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCC1(C)CC(CN2CC3COCC3C2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(2)5-11(3-4-15-14)6-16-7-12-9-17-10-13(12)8-16/h11-13,15H,3-10H2,1-2H3
InChIKeyOALDMJWWMFCCLX-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 166542556) is 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is CC1(C)CC(CN2CC3COCC3C2)CCN1.
What is the InChIKey of 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is OALDMJWWMFCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)5-11(3-4-15-14)6-16-7-12-9-17-10-13(12)8-16/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 238.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 166542556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).