1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol

C23H28FNO2 — CID 11079151

IUPAC1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C23H28FNO2/c24-20-7-9-22-19(16-20)10-11-23(27-22)12-14-25(15-13-23)17-21(26)8-6-18-4-2-1-3-5-18/h1-5,7,9,16,21,26H,6,8,10-15,17H2
InChIKeyJPTJNKGXZCFAFQ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.98
Rot. Bonds5

About 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol

1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol (PubChem CID 11079151) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol
PubChem CID11079151
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C23H28FNO2/c24-20-7-9-22-19(16-20)10-11-23(27-22)12-14-25(15-13-23)17-21(26)8-6-18-4-2-1-3-5-18/h1-5,7,9,16,21,26H,6,8,10-15,17H2
InChIKeyJPTJNKGXZCFAFQ-UHFFFAOYSA-N
XLogP3.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol (CID 11079151) is 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)CN1CCC2(CCc3cc(F)ccc3O2)CC1.
What is the InChIKey of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol?
The InChIKey is JPTJNKGXZCFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c24-20-7-9-22-19(16-20)10-11-23(27-22)12-14-25(15-13-23)17-21(26)8-6-18-4-2-1-3-5-18/h1-5,7,9,16,21,26H,6,8,10-15,17H2.
What are the key properties of 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol?
1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol has a molecular weight of 369.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 11079151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).