1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C18H22ClN3O — CID 91837176

IUPAC1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOC1Cc2ccccc2C12CCN(CCn1cc(Cl)cn1)CC2
InChIInChI=1S/C18H22ClN3O/c19-15-12-20-22(13-15)10-9-21-7-5-18(6-8-21)16-4-2-1-3-14(16)11-17(18)23/h1-4,12-13,17,23H,5-11H2
InChIKeyOZJOIMCSLCLXDI-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.49
Rot. Bonds3

About 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 91837176) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID91837176
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESOC1Cc2ccccc2C12CCN(CCn1cc(Cl)cn1)CC2
InChIInChI=1S/C18H22ClN3O/c19-15-12-20-22(13-15)10-9-21-7-5-18(6-8-21)16-4-2-1-3-14(16)11-17(18)23/h1-4,12-13,17,23H,5-11H2
InChIKeyOZJOIMCSLCLXDI-UHFFFAOYSA-N
XLogP2.49
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 91837176) is 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is OC1Cc2ccccc2C12CCN(CCn1cc(Cl)cn1)CC2.
What is the InChIKey of 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is OZJOIMCSLCLXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-15-12-20-22(13-15)10-9-21-7-5-18(6-8-21)16-4-2-1-3-14(16)11-17(18)23/h1-4,12-13,17,23H,5-11H2.
What are the key properties of 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 331.85 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chloropyrazol-1-yl)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 91837176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).