2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine

C10H17FN2 — CID 130510926

IUPAC2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine
SMILESFC(C1C=CCN1)C1CCCCN1
InChIInChI=1S/C10H17FN2/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h3,5,8-10,12-13H,1-2,4,6-7H2
InChIKeyVXUFQDFNCWPNCS-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.99
Rot. Bonds2

About 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine

2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine (PubChem CID 130510926) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine.

Molecular Properties

Compound Name2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine
PubChem CID130510926
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine
SMILESFC(C1C=CCN1)C1CCCCN1
InChIInChI=1S/C10H17FN2/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h3,5,8-10,12-13H,1-2,4,6-7H2
InChIKeyVXUFQDFNCWPNCS-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.99
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

2-[cyclopropyl(fluoro)methyl]azepane
CID 105434879
2-(1-fluoro-2,2-dimethylpropyl)piperidine;hydrochloride
CID 115058443
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
2-(1-fluorobutyl)piperidine
CID 105431346
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
(2R)-2-butan-2-ylpiperidine
CID 145087457
2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
CID 106635079

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine?
The IUPAC name of 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine (CID 130510926) is 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine.
What is the SMILES notation for 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine?
The canonical SMILES for 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine is FC(C1C=CCN1)C1CCCCN1.
What is the InChIKey of 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine?
The InChIKey is VXUFQDFNCWPNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h3,5,8-10,12-13H,1-2,4,6-7H2.
What are the key properties of 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine?
2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine has a molecular weight of 184.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dihydro-1H-pyrrol-2-yl(fluoro)methyl]piperidine is sourced from PubChem (CID 130510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).