(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

C14H23F3N2O2 — CID 110012050

IUPAC(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(C(O)C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H23F3N2O2/c1-13(5-2-6-18-9-13)12(21)19-7-3-10(4-8-19)11(20)14(15,16)17/h10-11,18,20H,2-9H2,1H3
InChIKeyWFHYGKGEWHMGLK-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.54
Rot. Bonds2

About (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 110012050) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID110012050
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(C(O)C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H23F3N2O2/c1-13(5-2-6-18-9-13)12(21)19-7-3-10(4-8-19)11(20)14(15,16)17/h10-11,18,20H,2-9H2,1H3
InChIKeyWFHYGKGEWHMGLK-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (CID 110012050) is (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is CC1(C(=O)N2CCC(C(O)C(F)(F)F)CC2)CCCNC1.
What is the InChIKey of (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is WFHYGKGEWHMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(5-2-6-18-9-13)12(21)19-7-3-10(4-8-19)11(20)14(15,16)17/h10-11,18,20H,2-9H2,1H3.
What are the key properties of (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
(3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110012050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).