(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine

C10H19F3N2 — CID 118067474

IUPAC(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC([C@@H](N)CN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(10(11,12)13)9(14)7-15-5-3-2-4-6-15/h8-9H,2-7,14H2,1H3/t8?,9-/m0/s1
InChIKeyNJJBMNOPGZWNCP-GKAPJAKFSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds3

About (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine

(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine (PubChem CID 118067474) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine
PubChem CID118067474
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine
SMILESCC([C@@H](N)CN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(10(11,12)13)9(14)7-15-5-3-2-4-6-15/h8-9H,2-7,14H2,1H3/t8?,9-/m0/s1
InChIKeyNJJBMNOPGZWNCP-GKAPJAKFSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine?
The IUPAC name of (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine (CID 118067474) is (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine?
The canonical SMILES for (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine is CC([C@@H](N)CN1CCCCC1)C(F)(F)F.
What is the InChIKey of (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine?
The InChIKey is NJJBMNOPGZWNCP-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(10(11,12)13)9(14)7-15-5-3-2-4-6-15/h8-9H,2-7,14H2,1H3/t8?,9-/m0/s1.
What are the key properties of (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine?
(2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-3-methyl-1-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 118067474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).