4-(fluoromethylidene)-1-methylpiperidine

C7H12FN — CID 139336579

IUPAC4-(fluoromethylidene)-1-methylpiperidine
SMILESCN1CCC(=CF)CC1
InChIInChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h6H,2-5H2,1H3
InChIKeyXMXHDWIOXAFVLM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.57
Rot. Bonds

About 4-(fluoromethylidene)-1-methylpiperidine

4-(fluoromethylidene)-1-methylpiperidine (PubChem CID 139336579) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-(fluoromethylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(fluoromethylidene)-1-methylpiperidine
PubChem CID139336579
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-(fluoromethylidene)-1-methylpiperidine
SMILESCN1CCC(=CF)CC1
InChIInChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h6H,2-5H2,1H3
InChIKeyXMXHDWIOXAFVLM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethylidene)-1-methylpiperidine?
The IUPAC name of 4-(fluoromethylidene)-1-methylpiperidine (CID 139336579) is 4-(fluoromethylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(fluoromethylidene)-1-methylpiperidine?
The canonical SMILES for 4-(fluoromethylidene)-1-methylpiperidine is CN1CCC(=CF)CC1.
What is the InChIKey of 4-(fluoromethylidene)-1-methylpiperidine?
The InChIKey is XMXHDWIOXAFVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-9-4-2-7(6-8)3-5-9/h6H,2-5H2,1H3.
What are the key properties of 4-(fluoromethylidene)-1-methylpiperidine?
4-(fluoromethylidene)-1-methylpiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethylidene)-1-methylpiperidine is sourced from PubChem (CID 139336579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).