1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine

C9H16FN — CID 167186334

IUPAC1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine
SMILESC=C[C@H](C)N1CCC(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPISCYJOVIYJYGK-QMMMGPOBSA-N
MW157.23 g/mol
LogP1.99
Rot. Bonds2

About 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine

1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine (PubChem CID 167186334) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine
PubChem CID167186334
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine
SMILESC=C[C@H](C)N1CCC(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyPISCYJOVIYJYGK-QMMMGPOBSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine?
The IUPAC name of 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine (CID 167186334) is 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine.
What is the SMILES notation for 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine?
The canonical SMILES for 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine is C=C[C@H](C)N1CCC(F)CC1.
What is the InChIKey of 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine?
The InChIKey is PISCYJOVIYJYGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine?
1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine has a molecular weight of 157.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-but-3-en-2-yl]-4-fluoropiperidine is sourced from PubChem (CID 167186334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).