(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C13H21F3N2O2 — CID 114908938

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(O)CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C13H21F3N2O2/c1-12(20)4-6-18(7-5-12)11(19)10-3-2-9(8-17-10)13(14,15)16/h9-10,17,20H,2-8H2,1H3
InChIKeyXRMFXKHIDKTSNJ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds1

About (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908938) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908938
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(O)CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C13H21F3N2O2/c1-12(20)4-6-18(7-5-12)11(19)10-3-2-9(8-17-10)13(14,15)16/h9-10,17,20H,2-8H2,1H3
InChIKeyXRMFXKHIDKTSNJ-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908938) is (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1(O)CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is XRMFXKHIDKTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-12(20)4-6-18(7-5-12)11(19)10-3-2-9(8-17-10)13(14,15)16/h9-10,17,20H,2-8H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 294.32 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).