1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol

C22H26FNO — CID 10268792

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
SMILESOC1(C2CCN(CCc3ccc(F)cc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H26FNO/c23-20-7-5-17(6-8-20)10-14-24-15-11-19(12-16-24)22(25)13-9-18-3-1-2-4-21(18)22/h1-8,19,25H,9-16H2
InChIKeyRFCUGBKJSHKDQO-UHFFFAOYSA-N
MW339.45 g/mol
LogP3.91
Rot. Bonds4

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

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol (PubChem CID 10268792) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
PubChem CID10268792
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol
SMILESOC1(C2CCN(CCc3ccc(F)cc3)CC2)CCc2ccccc21
InChIInChI=1S/C22H26FNO/c23-20-7-5-17(6-8-20)10-14-24-15-11-19(12-16-24)22(25)13-9-18-3-1-2-4-21(18)22/h1-8,19,25H,9-16H2
InChIKeyRFCUGBKJSHKDQO-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol (CID 10268792) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol is OC1(C2CCN(CCc3ccc(F)cc3)CC2)CCc2ccccc21.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol?
The InChIKey is RFCUGBKJSHKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c23-20-7-5-17(6-8-20)10-14-24-15-11-19(12-16-24)22(25)13-9-18-3-1-2-4-21(18)22/h1-8,19,25H,9-16H2.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol has a molecular weight of 339.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 10268792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).