(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C14H23F3N2O2 — CID 107392801

IUPAC(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCOC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C14H23F3N2O2/c1-13(21-2)6-3-7-19(9-13)12(20)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyLKEQOUFOTYPLGW-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.94
Rot. Bonds2

About (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 107392801) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID107392801
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCOC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C14H23F3N2O2/c1-13(21-2)6-3-7-19(9-13)12(20)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyLKEQOUFOTYPLGW-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 107392801) is (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is COC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1.
What is the InChIKey of (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is LKEQOUFOTYPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(21-2)6-3-7-19(9-13)12(20)11-5-4-10(8-18-11)14(15,16)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 107392801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).