1-benzyl-2-fluoropiperidine

C12H16FN — CID 54431864

IUPAC1-benzyl-2-fluoropiperidine
SMILESFC1CCCCN1Cc1ccccc1
InChIInChI=1S/C12H16FN/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyWIALRKABCWLROE-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.97
Rot. Bonds2

About 1-benzyl-2-fluoropiperidine

1-benzyl-2-fluoropiperidine (PubChem CID 54431864) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-benzyl-2-fluoropiperidine.

Molecular Properties

Compound Name1-benzyl-2-fluoropiperidine
PubChem CID54431864
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-benzyl-2-fluoropiperidine
SMILESFC1CCCCN1Cc1ccccc1
InChIInChI=1S/C12H16FN/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKeyWIALRKABCWLROE-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084
(2R)-1-benzyl-2-(2-phenylethynyl)piperidine
CID 177422623
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-fluoropiperidine?
The IUPAC name of 1-benzyl-2-fluoropiperidine (CID 54431864) is 1-benzyl-2-fluoropiperidine.
What is the SMILES notation for 1-benzyl-2-fluoropiperidine?
The canonical SMILES for 1-benzyl-2-fluoropiperidine is FC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-fluoropiperidine?
The InChIKey is WIALRKABCWLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2.
What are the key properties of 1-benzyl-2-fluoropiperidine?
1-benzyl-2-fluoropiperidine has a molecular weight of 193.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-fluoropiperidine is sourced from PubChem (CID 54431864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).