(3S)-1-ethenyl-3-fluoropiperidine

C7H12FN — CID 163853019

IUPAC(3S)-1-ethenyl-3-fluoropiperidine
SMILESC=CN1CCC[C@H](F)C1
InChIInChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyOVYSZERANXDNKV-ZETCQYMHSA-N
MW129.18 g/mol
LogP1.56
Rot. Bonds1

About (3S)-1-ethenyl-3-fluoropiperidine

(3S)-1-ethenyl-3-fluoropiperidine (PubChem CID 163853019) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3S)-1-ethenyl-3-fluoropiperidine.

Molecular Properties

Compound Name(3S)-1-ethenyl-3-fluoropiperidine
PubChem CID163853019
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3S)-1-ethenyl-3-fluoropiperidine
SMILESC=CN1CCC[C@H](F)C1
InChIInChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyOVYSZERANXDNKV-ZETCQYMHSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethenyl-3-fluoropiperidine?
The IUPAC name of (3S)-1-ethenyl-3-fluoropiperidine (CID 163853019) is (3S)-1-ethenyl-3-fluoropiperidine.
What is the SMILES notation for (3S)-1-ethenyl-3-fluoropiperidine?
The canonical SMILES for (3S)-1-ethenyl-3-fluoropiperidine is C=CN1CCC[C@H](F)C1.
What is the InChIKey of (3S)-1-ethenyl-3-fluoropiperidine?
The InChIKey is OVYSZERANXDNKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12FN/c1-2-9-5-3-4-7(8)6-9/h2,7H,1,3-6H2/t7-/m0/s1.
What are the key properties of (3S)-1-ethenyl-3-fluoropiperidine?
(3S)-1-ethenyl-3-fluoropiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethenyl-3-fluoropiperidine is sourced from PubChem (CID 163853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).