3-fluoro-N,N,1-trimethylpiperidin-4-amine

C8H17FN2 — CID 66767698

IUPAC3-fluoro-N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C)C(F)C1
InChIInChI=1S/C8H17FN2/c1-10(2)8-4-5-11(3)6-7(8)9/h7-8H,4-6H2,1-3H3
InChIKeyKHIYMVPKXORVOD-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.59
Rot. Bonds1

About 3-fluoro-N,N,1-trimethylpiperidin-4-amine

3-fluoro-N,N,1-trimethylpiperidin-4-amine (PubChem CID 66767698) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-fluoro-N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-N,N,1-trimethylpiperidin-4-amine
PubChem CID66767698
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name3-fluoro-N,N,1-trimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C)C(F)C1
InChIInChI=1S/C8H17FN2/c1-10(2)8-4-5-11(3)6-7(8)9/h7-8H,4-6H2,1-3H3
InChIKeyKHIYMVPKXORVOD-UHFFFAOYSA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of 3-fluoro-N,N,1-trimethylpiperidin-4-amine (CID 66767698) is 3-fluoro-N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for 3-fluoro-N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for 3-fluoro-N,N,1-trimethylpiperidin-4-amine is CN1CCC(N(C)C)C(F)C1.
What is the InChIKey of 3-fluoro-N,N,1-trimethylpiperidin-4-amine?
The InChIKey is KHIYMVPKXORVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10(2)8-4-5-11(3)6-7(8)9/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-N,N,1-trimethylpiperidin-4-amine?
3-fluoro-N,N,1-trimethylpiperidin-4-amine has a molecular weight of 160.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 66767698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).