1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine

C15H20F4N2 — CID 115350578

IUPAC1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-20-9-10-4-3-5-21(2)14(10)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10,14,20H,3-5,9H2,1-2H3
InChIKeyPQVHJQZCWWIXLV-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine

1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 115350578) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
PubChem CID115350578
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-20-9-10-4-3-5-21(2)14(10)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10,14,20H,3-5,9H2,1-2H3
InChIKeyPQVHJQZCWWIXLV-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine (CID 115350578) is 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(C)C1c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is PQVHJQZCWWIXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-20-9-10-4-3-5-21(2)14(10)11-6-12(15(17,18)19)8-13(16)7-11/h6-8,10,14,20H,3-5,9H2,1-2H3.
What are the key properties of 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine?
1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 304.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 115350578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).