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

C23H28FNO2 — CID 54065566

IUPAC3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(C1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H28FNO2/c1-16-2-7-20-21(17-3-5-19(24)6-4-17)15-23(27,22(20)14-16)18-8-10-25(11-9-18)12-13-26/h2-7,14,18,21,26-27H,8-13,15H2,1H3
InChIKeyMCRQVZCTJDSBNE-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.56
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol (PubChem CID 54065566) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
PubChem CID54065566
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(C1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H28FNO2/c1-16-2-7-20-21(17-3-5-19(24)6-4-17)15-23(27,22(20)14-16)18-8-10-25(11-9-18)12-13-26/h2-7,14,18,21,26-27H,8-13,15H2,1H3
InChIKeyMCRQVZCTJDSBNE-UHFFFAOYSA-N
XLogP3.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol (CID 54065566) is 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol is Cc1ccc2c(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-methyl-2,3-dihydroinden-1-ol?
The InChIKey is MCRQVZCTJDSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-16-2-7-20-21(17-3-5-19(24)6-4-17)15-23(27,22(20)14-16)18-8-10-25(11-9-18)12-13-26/h2-7,14,18,21,26-27H,8-13,15H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol?
3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol has a molecular weight of 369.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 54065566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).