4-(fluoromethyl)piperidin-1-amine

C6H13FN2 — CID 121200944

IUPAC4-(fluoromethyl)piperidin-1-amine
SMILESNN1CCC(CF)CC1
InChIInChI=1S/C6H13FN2/c7-5-6-1-3-9(8)4-2-6/h6H,1-5,8H2
InChIKeyKLRHKVHBYGAKSR-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.54
Rot. Bonds1

About 4-(fluoromethyl)piperidin-1-amine

4-(fluoromethyl)piperidin-1-amine (PubChem CID 121200944) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(fluoromethyl)piperidin-1-amine
PubChem CID121200944
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name4-(fluoromethyl)piperidin-1-amine
SMILESNN1CCC(CF)CC1
InChIInChI=1S/C6H13FN2/c7-5-6-1-3-9(8)4-2-6/h6H,1-5,8H2
InChIKeyKLRHKVHBYGAKSR-UHFFFAOYSA-N
XLogP0.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.54
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 4-(fluoromethyl)piperidin-1-amine?
The IUPAC name of 4-(fluoromethyl)piperidin-1-amine (CID 121200944) is 4-(fluoromethyl)piperidin-1-amine.
What is the SMILES notation for 4-(fluoromethyl)piperidin-1-amine?
The canonical SMILES for 4-(fluoromethyl)piperidin-1-amine is NN1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)piperidin-1-amine?
The InChIKey is KLRHKVHBYGAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c7-5-6-1-3-9(8)4-2-6/h6H,1-5,8H2.
What are the key properties of 4-(fluoromethyl)piperidin-1-amine?
4-(fluoromethyl)piperidin-1-amine has a molecular weight of 132.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidin-1-amine is sourced from PubChem (CID 121200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).