4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol

C23H29FN2O — CID 22037902

IUPAC4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCC(N2CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c24-20-9-7-19(8-10-20)23(27)6-3-14-25-15-12-21(13-16-25)26-17-11-18-4-1-2-5-22(18)26/h1-2,4-5,7-10,21,23,27H,3,6,11-17H2
InChIKeyMAOQLMLUEUKLCF-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.17
Rot. Bonds6

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

4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol (PubChem CID 22037902) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol
PubChem CID22037902
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol
SMILESOC(CCCN1CCC(N2CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O/c24-20-9-7-19(8-10-20)23(27)6-3-14-25-15-12-21(13-16-25)26-17-11-18-4-1-2-5-22(18)26/h1-2,4-5,7-10,21,23,27H,3,6,11-17H2
InChIKeyMAOQLMLUEUKLCF-UHFFFAOYSA-N
XLogP4.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol (CID 22037902) is 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol is OC(CCCN1CCC(N2CCc3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
The InChIKey is MAOQLMLUEUKLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c24-20-9-7-19(8-10-20)23(27)6-3-14-25-15-12-21(13-16-25)26-17-11-18-4-1-2-5-22(18)26/h1-2,4-5,7-10,21,23,27H,3,6,11-17H2.
What are the key properties of 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol?
4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol has a molecular weight of 368.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 22037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).