3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C23H24FNO — CID 172651840

IUPAC3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1Cc2ccccc2CC1N1CCC2(C=Cc3cc(F)ccc32)CC1
InChIInChI=1S/C23H24FNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2
InChIKeyOACBQZUYKICGQZ-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.71
Rot. Bonds1

About 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 172651840) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID172651840
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESOC1Cc2ccccc2CC1N1CCC2(C=Cc3cc(F)ccc32)CC1
InChIInChI=1S/C23H24FNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2
InChIKeyOACBQZUYKICGQZ-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(2-Hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro(1H-indene-1,4'-piperidine)
CID 3083476
Benzovesamicol
CID 15925918
5-Iodobenzovesamicol
CID 124499
(2R,3R)-3-spiro[indene-1,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 9862398
(2R,3R)-3-(5-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10047150
(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10250990
(2R,3R,4aR,8aR)-3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 10335743
(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10454205
3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 3078239
3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 15925916
(-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 49843553
(+)-(S,S)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 52940706

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 172651840) is 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is OC1Cc2ccccc2CC1N1CCC2(C=Cc3cc(F)ccc32)CC1.
What is the InChIKey of 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is OACBQZUYKICGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2.
What are the key properties of 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 349.45 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 172651840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).