(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C24H27FN2O — CID 31225091

IUPAC(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CC=C(c3ccc(F)cc3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C24H27FN2O/c25-19-7-5-17(6-8-19)18-9-15-27(16-10-18)22-20-3-1-2-4-21(20)24(23(22)28)11-13-26-14-12-24/h1-9,22-23,26,28H,10-16H2/t22-,23+/m1/s1
InChIKeyGDEDKUBCRXWBRQ-PKTZIBPZSA-N
MW378.49 g/mol
LogP3.65
Rot. Bonds2

About (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31225091) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31225091
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CC=C(c3ccc(F)cc3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C24H27FN2O/c25-19-7-5-17(6-8-19)18-9-15-27(16-10-18)22-20-3-1-2-4-21(20)24(23(22)28)11-13-26-14-12-24/h1-9,22-23,26,28H,10-16H2/t22-,23+/m1/s1
InChIKeyGDEDKUBCRXWBRQ-PKTZIBPZSA-N
XLogP3.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31225091) is (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](N2CC=C(c3ccc(F)cc3)CC2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is GDEDKUBCRXWBRQ-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H27FN2O/c25-19-7-5-17(6-8-19)18-9-15-27(16-10-18)22-20-3-1-2-4-21(20)24(23(22)28)11-13-26-14-12-24/h1-9,22-23,26,28H,10-16H2/t22-,23+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 378.49 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).