(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine

C9H16FNO — CID 175976941

IUPAC(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine
SMILESC=CC[C@]1(F)CNCC[C@H]1OC
InChIInChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyXWPOZRDTCOOUAV-BDAKNGLRSA-N
MW173.23 g/mol
LogP1.28
Rot. Bonds3

About (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine

(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine (PubChem CID 175976941) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine
PubChem CID175976941
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine
SMILESC=CC[C@]1(F)CNCC[C@H]1OC
InChIInChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyXWPOZRDTCOOUAV-BDAKNGLRSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The IUPAC name of (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine (CID 175976941) is (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine is C=CC[C@]1(F)CNCC[C@H]1OC.
What is the InChIKey of (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
The InChIKey is XWPOZRDTCOOUAV-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-5-9(10)7-11-6-4-8(9)12-2/h3,8,11H,1,4-7H2,2H3/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine?
(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine has a molecular weight of 173.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine is sourced from PubChem (CID 175976941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).