4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione

C18H23FN2O3 — CID 168873339

IUPAC4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCC1(CO)CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1
InChIInChI=1S/C18H23FN2O3/c1-18(11-22)4-6-21(7-5-18)15-3-2-12(8-14(15)19)13-9-16(23)20-17(24)10-13/h2-3,8,13,22H,4-7,9-11H2,1H3,(H,20,23,24)
InChIKeyVEDDBYZNBWWFQW-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.94
Rot. Bonds3

About 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione

4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 168873339) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID168873339
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESCC1(CO)CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1
InChIInChI=1S/C18H23FN2O3/c1-18(11-22)4-6-21(7-5-18)15-3-2-12(8-14(15)19)13-9-16(23)20-17(24)10-13/h2-3,8,13,22H,4-7,9-11H2,1H3,(H,20,23,24)
InChIKeyVEDDBYZNBWWFQW-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione (CID 168873339) is 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione is CC1(CO)CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2F)CC1.
What is the InChIKey of 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is VEDDBYZNBWWFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(11-22)4-6-21(7-5-18)15-3-2-12(8-14(15)19)13-9-16(23)20-17(24)10-13/h2-3,8,13,22H,4-7,9-11H2,1H3,(H,20,23,24).
What are the key properties of 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione?
4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 334.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 168873339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).