(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine

C13H16FN — CID 11344751

IUPAC(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine
SMILESC=C1CN(C)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-10-9-15(2)8-7-13(10)11-3-5-12(14)6-4-11/h3-6,13H,1,7-9H2,2H3/t13-/m1/s1
InChIKeyIZFZORIRORMJBE-CYBMUJFWSA-N
MW205.28 g/mol
LogP2.80
Rot. Bonds1

About (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine

(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine (PubChem CID 11344751) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine
PubChem CID11344751
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine
SMILESC=C1CN(C)CC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C13H16FN/c1-10-9-15(2)8-7-13(10)11-3-5-12(14)6-4-11/h3-6,13H,1,7-9H2,2H3/t13-/m1/s1
InChIKeyIZFZORIRORMJBE-CYBMUJFWSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.80
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 (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine?
The IUPAC name of (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine (CID 11344751) is (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine is C=C1CN(C)CC[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine?
The InChIKey is IZFZORIRORMJBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FN/c1-10-9-15(2)8-7-13(10)11-3-5-12(14)6-4-11/h3-6,13H,1,7-9H2,2H3/t13-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine?
(4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine has a molecular weight of 205.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-1-methyl-3-methylidenepiperidine is sourced from PubChem (CID 11344751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).