(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine

C7H13F3N2 — CID 166815435

IUPAC(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine
SMILESCN1CC[C@@H](C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1
InChIKeyIJOYAKMYXSNWDR-RITPCOANSA-N
MW182.19 g/mol
LogP0.83
Rot. Bonds

About (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine

(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine (PubChem CID 166815435) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine
PubChem CID166815435
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine
SMILESCN1CC[C@@H](C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1
InChIKeyIJOYAKMYXSNWDR-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 (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine (CID 166815435) is (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine is CN1CC[C@@H](C(F)(F)F)[C@@H](N)C1.
What is the InChIKey of (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine?
The InChIKey is IJOYAKMYXSNWDR-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-12-3-2-5(6(11)4-12)7(8,9)10/h5-6H,2-4,11H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine?
(3R,4R)-1-methyl-4-(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 (3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 166815435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).