(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H21FN2O2 — CID 66547961

IUPAC(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESFC1CCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-16-7-10-22(11-8-16)12-14-3-5-15(6-4-14)18-13-23-17-2-1-9-21-19(17)24-18/h1-6,9,16,18H,7-8,10-13H2/t18-/m1/s1
InChIKeyGMQFHZNNLIMKFV-GOSISDBHSA-N
MW328.39 g/mol
LogP3.53
Rot. Bonds3

About (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 66547961) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID66547961
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESFC1CCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c20-16-7-10-22(11-8-16)12-14-3-5-15(6-4-14)18-13-23-17-2-1-9-21-19(17)24-18/h1-6,9,16,18H,7-8,10-13H2/t18-/m1/s1
InChIKeyGMQFHZNNLIMKFV-GOSISDBHSA-N
XLogP3.53
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 66547961) is (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is FC1CCN(Cc2ccc([C@H]3COc4cccnc4O3)cc2)CC1.
What is the InChIKey of (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is GMQFHZNNLIMKFV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-7-10-22(11-8-16)12-14-3-5-15(6-4-14)18-13-23-17-2-1-9-21-19(17)24-18/h1-6,9,16,18H,7-8,10-13H2/t18-/m1/s1.
What are the key properties of (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
(3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 328.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 66547961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).