(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine

C11H21F3N2 — CID 126486342

IUPAC(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCCC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-4-10(2,3)16-6-8(11(12,13)14)5-9(15)7-16/h8-9H,4-7,15H2,1-3H3/t8-,9+/m1/s1
InChIKeyVZOAOOJEAHHLSS-BDAKNGLRSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds2

About (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine

(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 126486342) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
PubChem CID126486342
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
SMILESCCC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-4-10(2,3)16-6-8(11(12,13)14)5-9(15)7-16/h8-9H,4-7,15H2,1-3H3/t8-,9+/m1/s1
InChIKeyVZOAOOJEAHHLSS-BDAKNGLRSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine (CID 126486342) is (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine is CCC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is VZOAOOJEAHHLSS-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-10(2,3)16-6-8(11(12,13)14)5-9(15)7-16/h8-9H,4-7,15H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine?
(3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-methylbutan-2-yl)-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 126486342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).