N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine

C15H20F4N2 — CID 83009539

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10-4-3-5-11(2)21(10)20-9-12-6-7-14(16)13(8-12)15(17,18)19/h6-8,10-11,20H,3-5,9H2,1-2H3
InChIKeySXSHCTSIRSJPIL-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.11
Rot. Bonds3

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine

N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83009539) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83009539
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10-4-3-5-11(2)21(10)20-9-12-6-7-14(16)13(8-12)15(17,18)19/h6-8,10-11,20H,3-5,9H2,1-2H3
InChIKeySXSHCTSIRSJPIL-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine (CID 83009539) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is SXSHCTSIRSJPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10-4-3-5-11(2)21(10)20-9-12-6-7-14(16)13(8-12)15(17,18)19/h6-8,10-11,20H,3-5,9H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 304.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83009539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).