(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine

C10H18FN — CID 156796843

IUPAC(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine
SMILESC=CC1(F)[C@H](C)CN(C)C[C@@H]1C
InChIInChI=1S/C10H18FN/c1-5-10(11)8(2)6-12(4)7-9(10)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+,10?
InChIKeyQXLVQNBFYMVPLS-ULKQDVFKSA-N
MW171.26 g/mol
LogP2.10
Rot. Bonds1

About (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine

(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine (PubChem CID 156796843) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine.

Molecular Properties

Compound Name(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine
PubChem CID156796843
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine
SMILESC=CC1(F)[C@H](C)CN(C)C[C@@H]1C
InChIInChI=1S/C10H18FN/c1-5-10(11)8(2)6-12(4)7-9(10)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+,10?
InChIKeyQXLVQNBFYMVPLS-ULKQDVFKSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.10
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 (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine?
The IUPAC name of (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine (CID 156796843) is (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine.
What is the SMILES notation for (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine?
The canonical SMILES for (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine is C=CC1(F)[C@H](C)CN(C)C[C@@H]1C.
What is the InChIKey of (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine?
The InChIKey is QXLVQNBFYMVPLS-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-10(11)8(2)6-12(4)7-9(10)3/h5,8-9H,1,6-7H2,2-4H3/t8-,9+,10?.
What are the key properties of (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine?
(3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-ethenyl-4-fluoro-1,3,5-trimethylpiperidine is sourced from PubChem (CID 156796843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).