(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone

C11H17F3N2O2 — CID 71236507

IUPAC(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(6-4-10)9(17)8(15)7-1-2-7/h7-8,18H,1-6,15H2/t8-/m1/s1
InChIKeyPLPVCJAXTYVZGH-MRVPVSSYSA-N
MW266.26 g/mol
LogP0.64
Rot. Bonds2

About (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone

(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 71236507) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID71236507
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESN[C@@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(6-4-10)9(17)8(15)7-1-2-7/h7-8,18H,1-6,15H2/t8-/m1/s1
InChIKeyPLPVCJAXTYVZGH-MRVPVSSYSA-N
XLogP0.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 71236507) is (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone is N[C@@H](C(=O)N1CCC(O)(C(F)(F)F)CC1)C1CC1.
What is the InChIKey of (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PLPVCJAXTYVZGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(18)3-5-16(6-4-10)9(17)8(15)7-1-2-7/h7-8,18H,1-6,15H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone?
(2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 266.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclopropyl-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71236507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).