(3S)-3-fluoropiperidin-1-ium

C5H11FN+ — CID 7158197

IUPAC(3S)-3-fluoropiperidin-1-ium
SMILESF[C@H]1CCC[NH2+]C1
InChIInChI=1S/C5H10FN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2/p+1/t5-/m0/s1
InChIKeyYUKQZLBLVRAJSW-YFKPBYRVSA-O
MW104.15 g/mol
LogP-0.32
Rot. Bonds

About (3S)-3-fluoropiperidin-1-ium

(3S)-3-fluoropiperidin-1-ium (PubChem CID 7158197) has the molecular formula C5H11FN+ and a molecular weight of 104.15 g/mol. Its IUPAC name is (3S)-3-fluoropiperidin-1-ium.

Molecular Properties

Compound Name(3S)-3-fluoropiperidin-1-ium
PubChem CID7158197
Molecular FormulaC5H11FN+
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name(3S)-3-fluoropiperidin-1-ium
SMILESF[C@H]1CCC[NH2+]C1
InChIInChI=1S/C5H10FN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2/p+1/t5-/m0/s1
InChIKeyYUKQZLBLVRAJSW-YFKPBYRVSA-O
XLogP-0.32
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoropiperidin-1-ium?
The IUPAC name of (3S)-3-fluoropiperidin-1-ium (CID 7158197) is (3S)-3-fluoropiperidin-1-ium.
What is the SMILES notation for (3S)-3-fluoropiperidin-1-ium?
The canonical SMILES for (3S)-3-fluoropiperidin-1-ium is F[C@H]1CCC[NH2+]C1.
What is the InChIKey of (3S)-3-fluoropiperidin-1-ium?
The InChIKey is YUKQZLBLVRAJSW-YFKPBYRVSA-O. The full InChI is InChI=1S/C5H10FN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2/p+1/t5-/m0/s1.
What are the key properties of (3S)-3-fluoropiperidin-1-ium?
(3S)-3-fluoropiperidin-1-ium has a molecular weight of 104.15 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropiperidin-1-ium is sourced from PubChem (CID 7158197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).