(3S)-3-fluoro-1-methyl-5-methylidenepiperidine

C7H12FN — CID 177326640

IUPAC(3S)-3-fluoro-1-methyl-5-methylidenepiperidine
SMILESC=C1C[C@H](F)CN(C)C1
InChIInChI=1S/C7H12FN/c1-6-3-7(8)5-9(2)4-6/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySJDKWPOMBAOVKN-ZETCQYMHSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds

About (3S)-3-fluoro-1-methyl-5-methylidenepiperidine

(3S)-3-fluoro-1-methyl-5-methylidenepiperidine (PubChem CID 177326640) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methyl-5-methylidenepiperidine
PubChem CID177326640
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3S)-3-fluoro-1-methyl-5-methylidenepiperidine
SMILESC=C1C[C@H](F)CN(C)C1
InChIInChI=1S/C7H12FN/c1-6-3-7(8)5-9(2)4-6/h7H,1,3-5H2,2H3/t7-/m0/s1
InChIKeySJDKWPOMBAOVKN-ZETCQYMHSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-fluoro-1-methyl-5-methylidenepiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-methyl-5-methylidenepiperidine?
The IUPAC name of (3S)-3-fluoro-1-methyl-5-methylidenepiperidine (CID 177326640) is (3S)-3-fluoro-1-methyl-5-methylidenepiperidine.
What is the SMILES notation for (3S)-3-fluoro-1-methyl-5-methylidenepiperidine?
The canonical SMILES for (3S)-3-fluoro-1-methyl-5-methylidenepiperidine is C=C1C[C@H](F)CN(C)C1.
What is the InChIKey of (3S)-3-fluoro-1-methyl-5-methylidenepiperidine?
The InChIKey is SJDKWPOMBAOVKN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-3-7(8)5-9(2)4-6/h7H,1,3-5H2,2H3/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-methyl-5-methylidenepiperidine?
(3S)-3-fluoro-1-methyl-5-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-methyl-5-methylidenepiperidine is sourced from PubChem (CID 177326640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).