3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol

C23H28FNO3 — CID 54075338

IUPAC3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H28FNO3/c1-28-19-6-7-20-21(16-2-4-18(24)5-3-16)15-23(27,22(20)14-19)17-8-10-25(11-9-17)12-13-26/h2-7,14,17,21,26-27H,8-13,15H2,1H3
InChIKeyMJHCDSBJNQFCRZ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.26
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol

3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 54075338) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID54075338
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(C1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H28FNO3/c1-28-19-6-7-20-21(16-2-4-18(24)5-3-16)15-23(27,22(20)14-19)17-8-10-25(11-9-17)12-13-26/h2-7,14,17,21,26-27H,8-13,15H2,1H3
InChIKeyMJHCDSBJNQFCRZ-UHFFFAOYSA-N
XLogP3.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol (CID 54075338) is 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(C1CCN(CCO)CC1)CC2c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is MJHCDSBJNQFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-28-19-6-7-20-21(16-2-4-18(24)5-3-16)15-23(27,22(20)14-19)17-8-10-25(11-9-17)12-13-26/h2-7,14,17,21,26-27H,8-13,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol?
3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 385.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 54075338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).