6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol

C14H17ClFNO2 — CID 82188650

IUPAC6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)cc(Cl)cc2C1N1CCCCC1
InChIInChI=1S/C14H17ClFNO2/c15-9-6-10-13(17-4-2-1-3-5-17)12(18)8-19-14(10)11(16)7-9/h6-7,12-13,18H,1-5,8H2
InChIKeyCQIRIFSQTWERJM-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.76
Rot. Bonds1

About 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol

6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188650) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188650
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)cc(Cl)cc2C1N1CCCCC1
InChIInChI=1S/C14H17ClFNO2/c15-9-6-10-13(17-4-2-1-3-5-17)12(18)8-19-14(10)11(16)7-9/h6-7,12-13,18H,1-5,8H2
InChIKeyCQIRIFSQTWERJM-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol (CID 82188650) is 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol is OC1COc2c(F)cc(Cl)cc2C1N1CCCCC1.
What is the InChIKey of 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is CQIRIFSQTWERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-9-6-10-13(17-4-2-1-3-5-17)12(18)8-19-14(10)11(16)7-9/h6-7,12-13,18H,1-5,8H2.
What are the key properties of 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 285.75 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-4-piperidin-1-yl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).