3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine

C9H15FN2 — CID 130510906

IUPAC3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine
SMILESFC1(C2C=CCN2)CCCNC1
InChIInChI=1S/C9H15FN2/c10-9(4-2-5-11-7-9)8-3-1-6-12-8/h1,3,8,11-12H,2,4-7H2
InChIKeyPPIRSUHPQNHAFT-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.61
Rot. Bonds1

About 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine

3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine (PubChem CID 130510906) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine
PubChem CID130510906
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine
SMILESFC1(C2C=CCN2)CCCNC1
InChIInChI=1S/C9H15FN2/c10-9(4-2-5-11-7-9)8-3-1-6-12-8/h1,3,8,11-12H,2,4-7H2
InChIKeyPPIRSUHPQNHAFT-UHFFFAOYSA-N
XLogP0.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-fluoro-3-iodopiperidine
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(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3-(3-ethylcyclohexyl)-3-fluoropiperidine
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2,8-diazaspiro[5.6]dodec-10-ene
CID 23135409
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
3,3-difluoroazepane;ethane
CID 142117389
1,8-diazaspiro[5.5]undec-3-ene
CID 23282832
3-methyl-1,5-dioxa-8-azaspiro[5.5]undecane
CID 112548499
4-fluoro-4-(oxolan-3-yl)azepane
CID 103983808

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine (CID 130510906) is 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine is FC1(C2C=CCN2)CCCNC1.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine?
The InChIKey is PPIRSUHPQNHAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c10-9(4-2-5-11-7-9)8-3-1-6-12-8/h1,3,8,11-12H,2,4-7H2.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine?
3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine has a molecular weight of 170.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-2-yl)-3-fluoropiperidine is sourced from PubChem (CID 130510906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).