(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol

C14H18FNO2 — CID 138738593

IUPAC(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol
SMILESO[C@@]1([C@@H]2CCCCN2)OCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c15-11-4-5-12-10(9-11)6-8-18-14(12,17)13-3-1-2-7-16-13/h4-5,9,13,16-17H,1-3,6-8H2/t13-,14+/m0/s1
InChIKeyVGJFHYJLXAQKOH-UONOGXRCSA-N
MW251.30 g/mol
LogP1.69
Rot. Bonds1

About (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol

(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol (PubChem CID 138738593) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol.

Molecular Properties

Compound Name(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol
PubChem CID138738593
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol
SMILESO[C@@]1([C@@H]2CCCCN2)OCCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c15-11-4-5-12-10(9-11)6-8-18-14(12,17)13-3-1-2-7-16-13/h4-5,9,13,16-17H,1-3,6-8H2/t13-,14+/m0/s1
InChIKeyVGJFHYJLXAQKOH-UONOGXRCSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9R)-9-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-ol
CID 166875949
2-[1-(2,4-difluorophenyl)cyclopropyl]pyrrolidine
CID 83910817
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
(2R)-2-[(1R)-6-fluoro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456753
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
2-(azepan-2-yl)-5-fluorophenol
CID 107014696
(3S)-6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 86327550
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531949
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
6-fluorospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-carboxamide
CID 114487148
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248

Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol?
The IUPAC name of (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol (CID 138738593) is (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol.
What is the SMILES notation for (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol?
The canonical SMILES for (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol is O[C@@]1([C@@H]2CCCCN2)OCCc2cc(F)ccc21.
What is the InChIKey of (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol?
The InChIKey is VGJFHYJLXAQKOH-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-11-4-5-12-10(9-11)6-8-18-14(12,17)13-3-1-2-7-16-13/h4-5,9,13,16-17H,1-3,6-8H2/t13-,14+/m0/s1.
What are the key properties of (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol?
(1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol has a molecular weight of 251.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-1-[(2S)-piperidin-2-yl]-3,4-dihydroisochromen-1-ol is sourced from PubChem (CID 138738593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).