2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one

C15H18FNO2 — CID 118351703

IUPAC2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)ccc2CC1CC1(F)CCNCC1
InChIInChI=1S/C15H18FNO2/c16-15(3-5-17-6-4-15)9-11-7-10-1-2-12(18)8-13(10)14(11)19/h1-2,8,11,17-18H,3-7,9H2
InChIKeyAXDQDBJHAKENND-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.23
Rot. Bonds2

About 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one

2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one (PubChem CID 118351703) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one
PubChem CID118351703
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1c2cc(O)ccc2CC1CC1(F)CCNCC1
InChIInChI=1S/C15H18FNO2/c16-15(3-5-17-6-4-15)9-11-7-10-1-2-12(18)8-13(10)14(11)19/h1-2,8,11,17-18H,3-7,9H2
InChIKeyAXDQDBJHAKENND-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one (CID 118351703) is 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one is O=C1c2cc(O)ccc2CC1CC1(F)CCNCC1.
What is the InChIKey of 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is AXDQDBJHAKENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-15(3-5-17-6-4-15)9-11-7-10-1-2-12(18)8-13(10)14(11)19/h1-2,8,11,17-18H,3-7,9H2.
What are the key properties of 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one?
2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 263.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropiperidin-4-yl)methyl]-6-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 118351703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).