3-(fluoromethyl)-5-methylpiperidin-1-amine

C7H15FN2 — CID 135137988

IUPAC3-(fluoromethyl)-5-methylpiperidin-1-amine
SMILESCC1CC(CF)CN(N)C1
InChIInChI=1S/C7H15FN2/c1-6-2-7(3-8)5-10(9)4-6/h6-7H,2-5,9H2,1H3
InChIKeySMUNWMFGKWYMNF-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.79
Rot. Bonds1

About 3-(fluoromethyl)-5-methylpiperidin-1-amine

3-(fluoromethyl)-5-methylpiperidin-1-amine (PubChem CID 135137988) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methylpiperidin-1-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methylpiperidin-1-amine
PubChem CID135137988
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name3-(fluoromethyl)-5-methylpiperidin-1-amine
SMILESCC1CC(CF)CN(N)C1
InChIInChI=1S/C7H15FN2/c1-6-2-7(3-8)5-10(9)4-6/h6-7H,2-5,9H2,1H3
InChIKeySMUNWMFGKWYMNF-UHFFFAOYSA-N
XLogP0.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methylpiperidin-1-amine?
The IUPAC name of 3-(fluoromethyl)-5-methylpiperidin-1-amine (CID 135137988) is 3-(fluoromethyl)-5-methylpiperidin-1-amine.
What is the SMILES notation for 3-(fluoromethyl)-5-methylpiperidin-1-amine?
The canonical SMILES for 3-(fluoromethyl)-5-methylpiperidin-1-amine is CC1CC(CF)CN(N)C1.
What is the InChIKey of 3-(fluoromethyl)-5-methylpiperidin-1-amine?
The InChIKey is SMUNWMFGKWYMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-6-2-7(3-8)5-10(9)4-6/h6-7H,2-5,9H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methylpiperidin-1-amine?
3-(fluoromethyl)-5-methylpiperidin-1-amine has a molecular weight of 146.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methylpiperidin-1-amine is sourced from PubChem (CID 135137988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).