1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine

C17H25F3N2O2 — CID 157039254

IUPAC1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1
InChIInChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3
InChIKeyIKDCEMUPGYHFBV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.26
Rot. Bonds2

About 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine

1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 157039254) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID157039254
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1
InChIInChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3
InChIKeyIKDCEMUPGYHFBV-UHFFFAOYSA-N
XLogP3.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine (CID 157039254) is 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine is CN1CCC(O)CC1.FC(F)(F)Oc1ccccc1N1CCCC1.
What is the InChIKey of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is IKDCEMUPGYHFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.C6H13NO/c12-11(13,14)16-10-6-2-1-5-9(10)15-7-3-4-8-15;1-7-4-2-6(8)3-5-7/h1-2,5-6H,3-4,7-8H2;6,8H,2-5H2,1H3.
What are the key properties of 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine?
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 346.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 157039254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).