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

C27H30FN3O — CID 22037901

IUPAC[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1
InChIInChI=1S/C27H30FN3O/c28-23-8-4-20(5-9-23)10-15-30-16-12-24(13-17-30)31-18-11-21-6-7-22(19-26(21)31)27(32)25-3-1-2-14-29-25/h1-9,14,19,24,27,32H,10-13,15-18H2
InChIKeyIKQBFZHSEUGNJG-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.37
Rot. Bonds6

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

[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol (PubChem CID 22037901) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
PubChem CID22037901
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC Name[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1
InChIInChI=1S/C27H30FN3O/c28-23-8-4-20(5-9-23)10-15-30-16-12-24(13-17-30)31-18-11-21-6-7-22(19-26(21)31)27(32)25-3-1-2-14-29-25/h1-9,14,19,24,27,32H,10-13,15-18H2
InChIKeyIKQBFZHSEUGNJG-UHFFFAOYSA-N
XLogP4.37
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol (CID 22037901) is [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol is OC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1.
What is the InChIKey of [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol?
The InChIKey is IKQBFZHSEUGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c28-23-8-4-20(5-9-23)10-15-30-16-12-24(13-17-30)31-18-11-21-6-7-22(19-26(21)31)27(32)25-3-1-2-14-29-25/h1-9,14,19,24,27,32H,10-13,15-18H2.
What are the key properties of [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol?
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol has a molecular weight of 431.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 22037901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).