4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol

C13H17NO2 — CID 57213117

IUPAC4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol
SMILESOC1(C2=C3C=COC=C3CC2)CCNCC1
InChIInChI=1S/C13H17NO2/c15-13(4-6-14-7-5-13)12-2-1-10-9-16-8-3-11(10)12/h3,8-9,14-15H,1-2,4-7H2
InChIKeyPQTJDJHASSQYRP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.62
Rot. Bonds1

About 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol

4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol (PubChem CID 57213117) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol
PubChem CID57213117
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol
SMILESOC1(C2=C3C=COC=C3CC2)CCNCC1
InChIInChI=1S/C13H17NO2/c15-13(4-6-14-7-5-13)12-2-1-10-9-16-8-3-11(10)12/h3,8-9,14-15H,1-2,4-7H2
InChIKeyPQTJDJHASSQYRP-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol?
The IUPAC name of 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol (CID 57213117) is 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol?
The canonical SMILES for 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol is OC1(C2=C3C=COC=C3CC2)CCNCC1.
What is the InChIKey of 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol?
The InChIKey is PQTJDJHASSQYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(4-6-14-7-5-13)12-2-1-10-9-16-8-3-11(10)12/h3,8-9,14-15H,1-2,4-7H2.
What are the key properties of 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol?
4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol has a molecular weight of 219.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydrocyclopenta[c]pyran-5-yl)piperidin-4-ol is sourced from PubChem (CID 57213117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).