[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol

C17H32N2O2 — CID 154811608

IUPAC[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
SMILESCC1(C)CC(N2C[C@@H]3CCOC[C@]3(CO)C2)CC(C)(C)N1
InChIInChI=1S/C17H32N2O2/c1-15(2)7-14(8-16(3,4)18-15)19-9-13-5-6-21-12-17(13,10-19)11-20/h13-14,18,20H,5-12H2,1-4H3/t13-,17+/m0/s1
InChIKeySTRXZTDSNKYOSL-SUMWQHHRSA-N
MW296.45 g/mol
LogP1.63
Rot. Bonds2

About [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol

[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 154811608) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
PubChem CID154811608
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
SMILESCC1(C)CC(N2C[C@@H]3CCOC[C@]3(CO)C2)CC(C)(C)N1
InChIInChI=1S/C17H32N2O2/c1-15(2)7-14(8-16(3,4)18-15)19-9-13-5-6-21-12-17(13,10-19)11-20/h13-14,18,20H,5-12H2,1-4H3/t13-,17+/m0/s1
InChIKeySTRXZTDSNKYOSL-SUMWQHHRSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol (CID 154811608) is [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol is CC1(C)CC(N2C[C@@H]3CCOC[C@]3(CO)C2)CC(C)(C)N1.
What is the InChIKey of [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is STRXZTDSNKYOSL-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-15(2)7-14(8-16(3,4)18-15)19-9-13-5-6-21-12-17(13,10-19)11-20/h13-14,18,20H,5-12H2,1-4H3/t13-,17+/m0/s1.
What are the key properties of [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
[(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 296.45 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 154811608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).