(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol

C14H17ClFNO — CID 118531317

IUPAC(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2c(F)cc(Cl)cc2[C@H]1N1CCCCC1
InChIInChI=1S/C14H17ClFNO/c15-9-6-11-10(12(16)7-9)8-13(18)14(11)17-4-2-1-3-5-17/h6-7,13-14,18H,1-5,8H2/t13-,14-/m1/s1
InChIKeySUCBMRWTIMUUIT-ZIAGYGMSSA-N
MW269.75 g/mol
LogP2.92
Rot. Bonds1

About (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol

(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol (PubChem CID 118531317) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol
PubChem CID118531317
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2c(F)cc(Cl)cc2[C@H]1N1CCCCC1
InChIInChI=1S/C14H17ClFNO/c15-9-6-11-10(12(16)7-9)8-13(18)14(11)17-4-2-1-3-5-17/h6-7,13-14,18H,1-5,8H2/t13-,14-/m1/s1
InChIKeySUCBMRWTIMUUIT-ZIAGYGMSSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol (CID 118531317) is (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2c(F)cc(Cl)cc2[C@H]1N1CCCCC1.
What is the InChIKey of (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is SUCBMRWTIMUUIT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-9-6-11-10(12(16)7-9)8-13(18)14(11)17-4-2-1-3-5-17/h6-7,13-14,18H,1-5,8H2/t13-,14-/m1/s1.
What are the key properties of (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 269.75 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6-chloro-4-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 118531317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).