4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol

C14H20FNO2 — CID 143401995

IUPAC4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol
SMILESCCOC1(C2=CC=C(F)CC=C2)CCNCC1O
InChIInChI=1S/C14H20FNO2/c1-2-18-14(8-9-16-10-13(14)17)11-4-3-5-12(15)7-6-11/h3-4,6-7,13,16-17H,2,5,8-10H2,1H3
InChIKeyXDVAKZNRXCQNGC-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.86
Rot. Bonds3

About 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol

4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol (PubChem CID 143401995) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol
PubChem CID143401995
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol
SMILESCCOC1(C2=CC=C(F)CC=C2)CCNCC1O
InChIInChI=1S/C14H20FNO2/c1-2-18-14(8-9-16-10-13(14)17)11-4-3-5-12(15)7-6-11/h3-4,6-7,13,16-17H,2,5,8-10H2,1H3
InChIKeyXDVAKZNRXCQNGC-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol?
The IUPAC name of 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol (CID 143401995) is 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol.
What is the SMILES notation for 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol?
The canonical SMILES for 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol is CCOC1(C2=CC=C(F)CC=C2)CCNCC1O.
What is the InChIKey of 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol?
The InChIKey is XDVAKZNRXCQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-18-14(8-9-16-10-13(14)17)11-4-3-5-12(15)7-6-11/h3-4,6-7,13,16-17H,2,5,8-10H2,1H3.
What are the key properties of 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol?
4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol has a molecular weight of 253.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-(4-fluorocyclohepta-1,3,6-trien-1-yl)piperidin-3-ol is sourced from PubChem (CID 143401995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).