(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine

C7H13F3N2 — CID 58177225

IUPAC(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCN1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-5(7(8,9)10)2-6(11)4-12/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1
InChIKeyPVJGFWNWYLREPM-RITPCOANSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds

About (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine

(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 58177225) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID58177225
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine
SMILESCN1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-5(7(8,9)10)2-6(11)4-12/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1
InChIKeyPVJGFWNWYLREPM-RITPCOANSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine (CID 58177225) is (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine is CN1C[C@@H](N)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is PVJGFWNWYLREPM-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-3-5(7(8,9)10)2-6(11)4-12/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine?
(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 58177225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).