(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine

C7H15FN2 — CID 55287556

IUPAC(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
SMILESCN[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C7H15FN2/c1-9-7-3-4-10(2)5-6(7)8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyHYTUIXWVBMRTAN-NKWVEPMBSA-N
MW146.21 g/mol
LogP0.25
Rot. Bonds1

About (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine

(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine (PubChem CID 55287556) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
PubChem CID55287556
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
SMILESCN[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C7H15FN2/c1-9-7-3-4-10(2)5-6(7)8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyHYTUIXWVBMRTAN-NKWVEPMBSA-N
XLogP0.25
TPSA15.27 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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine (CID 55287556) is (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine is CN[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine?
The InChIKey is HYTUIXWVBMRTAN-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9-7-3-4-10(2)5-6(7)8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine?
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine has a molecular weight of 146.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 55287556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).