6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol

C22H29FN2O4 — CID 145052386

IUPAC6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol
SMILESCOc1ccc(F)c(O)c1.OCC(CN1C[C@H]2CCC[C@H]2C1)c1ccc(O)cn1
InChIInChI=1S/C15H22N2O2.C7H7FO2/c18-10-13(15-5-4-14(19)6-16-15)9-17-7-11-2-1-3-12(11)8-17;1-10-5-2-3-6(8)7(9)4-5/h4-6,11-13,18-19H,1-3,7-10H2;2-4,9H,1H3/t11-,12+,13?;
InChIKeyDGOXIBJXUJVQJA-KOQCZNHOSA-N
MW404.48 g/mol
LogP3.13
Rot. Bonds5

About 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol

6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol (PubChem CID 145052386) has the molecular formula C22H29FN2O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol.

Molecular Properties

Compound Name6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol
PubChem CID145052386
Molecular FormulaC22H29FN2O4
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol
SMILESCOc1ccc(F)c(O)c1.OCC(CN1C[C@H]2CCC[C@H]2C1)c1ccc(O)cn1
InChIInChI=1S/C15H22N2O2.C7H7FO2/c18-10-13(15-5-4-14(19)6-16-15)9-17-7-11-2-1-3-12(11)8-17;1-10-5-2-3-6(8)7(9)4-5/h4-6,11-13,18-19H,1-3,7-10H2;2-4,9H,1H3/t11-,12+,13?;
InChIKeyDGOXIBJXUJVQJA-KOQCZNHOSA-N
XLogP3.13
TPSA86.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol?
The IUPAC name of 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol (CID 145052386) is 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol.
What is the SMILES notation for 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol?
The canonical SMILES for 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol is COc1ccc(F)c(O)c1.OCC(CN1C[C@H]2CCC[C@H]2C1)c1ccc(O)cn1.
What is the InChIKey of 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol?
The InChIKey is DGOXIBJXUJVQJA-KOQCZNHOSA-N. The full InChI is InChI=1S/C15H22N2O2.C7H7FO2/c18-10-13(15-5-4-14(19)6-16-15)9-17-7-11-2-1-3-12(11)8-17;1-10-5-2-3-6(8)7(9)4-5/h4-6,11-13,18-19H,1-3,7-10H2;2-4,9H,1H3/t11-,12+,13?;.
What are the key properties of 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol?
6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol has a molecular weight of 404.48 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-hydroxypropan-2-yl]pyridin-3-ol;2-fluoro-5-methoxyphenol is sourced from PubChem (CID 145052386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).