4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine

C11H19FN2 — CID 164646056

IUPAC4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine
SMILESCC1(C)CC(F)(C2C=CCN2)CCN1
InChIInChI=1S/C11H19FN2/c1-10(2)8-11(12,5-7-14-10)9-4-3-6-13-9/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyHAPKOQWJWGHGNC-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.38
Rot. Bonds1

About 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine

4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine (PubChem CID 164646056) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine
PubChem CID164646056
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine
SMILESCC1(C)CC(F)(C2C=CCN2)CCN1
InChIInChI=1S/C11H19FN2/c1-10(2)8-11(12,5-7-14-10)9-4-3-6-13-9/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyHAPKOQWJWGHGNC-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine?
The IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine (CID 164646056) is 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine.
What is the SMILES notation for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine?
The canonical SMILES for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine is CC1(C)CC(F)(C2C=CCN2)CCN1.
What is the InChIKey of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine?
The InChIKey is HAPKOQWJWGHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-10(2)8-11(12,5-7-14-10)9-4-3-6-13-9/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine?
4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine has a molecular weight of 198.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2,2-dimethylpiperidine is sourced from PubChem (CID 164646056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).