2-(1-fluorobutyl)piperidine

C9H18FN — CID 105431346

IUPAC2-(1-fluorobutyl)piperidine
SMILESCCCC(F)C1CCCCN1
InChIInChI=1S/C9H18FN/c1-2-5-8(10)9-6-3-4-7-11-9/h8-9,11H,2-7H2,1H3
InChIKeyOJIOPFFUMSGMDV-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.27
Rot. Bonds3

About 2-(1-fluorobutyl)piperidine

2-(1-fluorobutyl)piperidine (PubChem CID 105431346) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-(1-fluorobutyl)piperidine.

Molecular Properties

Compound Name2-(1-fluorobutyl)piperidine
PubChem CID105431346
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-(1-fluorobutyl)piperidine
SMILESCCCC(F)C1CCCCN1
InChIInChI=1S/C9H18FN/c1-2-5-8(10)9-6-3-4-7-11-9/h8-9,11H,2-7H2,1H3
InChIKeyOJIOPFFUMSGMDV-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-fluorobutyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
2-(1-fluoro-4-methylpentyl)piperidine
CID 106634845
2-(1-fluoro-3-methylbutyl)piperidine
CID 105435680
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381
2-(1-fluoropropyl)azetidine
CID 105427112
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)piperidine?
The IUPAC name of 2-(1-fluorobutyl)piperidine (CID 105431346) is 2-(1-fluorobutyl)piperidine.
What is the SMILES notation for 2-(1-fluorobutyl)piperidine?
The canonical SMILES for 2-(1-fluorobutyl)piperidine is CCCC(F)C1CCCCN1.
What is the InChIKey of 2-(1-fluorobutyl)piperidine?
The InChIKey is OJIOPFFUMSGMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-2-5-8(10)9-6-3-4-7-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1-fluorobutyl)piperidine?
2-(1-fluorobutyl)piperidine has a molecular weight of 159.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)piperidine is sourced from PubChem (CID 105431346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).