2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol

C24H31FN2O — CID 22038061

IUPAC2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C24H31FN2O/c1-24(2,28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,28H,9-16H2,1-2H3
InChIKeySILZNXRFCMOFCB-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.12
Rot. Bonds5

About 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol (PubChem CID 22038061) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol
PubChem CID22038061
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C24H31FN2O/c1-24(2,28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,28H,9-16H2,1-2H3
InChIKeySILZNXRFCMOFCB-UHFFFAOYSA-N
XLogP4.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol (CID 22038061) is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol?
The InChIKey is SILZNXRFCMOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-24(2,28)20-6-5-19-10-16-27(23(19)17-20)22-11-14-26(15-12-22)13-9-18-3-7-21(25)8-4-18/h3-8,17,22,28H,9-16H2,1-2H3.
What are the key properties of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol?
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol has a molecular weight of 382.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]propan-2-ol is sourced from PubChem (CID 22038061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).