2-fluoro-4-(2-methylpropyl)piperidine

C9H18FN — CID 145372066

IUPAC2-fluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC(F)C1
InChIInChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-9(10)6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyLOAWMPBKUFXPCG-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.33
Rot. Bonds2

About 2-fluoro-4-(2-methylpropyl)piperidine

2-fluoro-4-(2-methylpropyl)piperidine (PubChem CID 145372066) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-fluoro-4-(2-methylpropyl)piperidine
PubChem CID145372066
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-fluoro-4-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCNC(F)C1
InChIInChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-9(10)6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyLOAWMPBKUFXPCG-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylpropyl)piperidine?
The IUPAC name of 2-fluoro-4-(2-methylpropyl)piperidine (CID 145372066) is 2-fluoro-4-(2-methylpropyl)piperidine.
What is the SMILES notation for 2-fluoro-4-(2-methylpropyl)piperidine?
The canonical SMILES for 2-fluoro-4-(2-methylpropyl)piperidine is CC(C)CC1CCNC(F)C1.
What is the InChIKey of 2-fluoro-4-(2-methylpropyl)piperidine?
The InChIKey is LOAWMPBKUFXPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)5-8-3-4-11-9(10)6-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-4-(2-methylpropyl)piperidine?
2-fluoro-4-(2-methylpropyl)piperidine has a molecular weight of 159.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 145372066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).