(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine

C9H16FN — CID 143775541

IUPAC(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyPOWYXRVLNXRFNE-IUCAKERBSA-N
MW157.23 g/mol
LogP1.85
Rot. Bonds1

About (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine

(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine (PubChem CID 143775541) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
PubChem CID143775541
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1
InChIKeyPOWYXRVLNXRFNE-IUCAKERBSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.85
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 (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine (CID 143775541) is (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine is C=C(C)[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The InChIKey is POWYXRVLNXRFNE-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)8-4-5-11(3)6-9(8)10/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 143775541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).