[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine

C14H16F6N2 — CID 169490391

IUPAC[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F6N2/c15-13(16,17)10-3-5-22(6-4-10)12-2-1-11(14(18,19)20)7-9(12)8-21/h1-2,7,10H,3-6,8,21H2
InChIKeyRQGSZADTRKXPMU-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.94
Rot. Bonds2

About [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine

[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine (PubChem CID 169490391) has the molecular formula C14H16F6N2 and a molecular weight of 326.28 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
PubChem CID169490391
Molecular FormulaC14H16F6N2
Molecular Weight326.28 g/mol
Exact Mass326.12
IUPAC Name[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F6N2/c15-13(16,17)10-3-5-22(6-4-10)12-2-1-11(14(18,19)20)7-9(12)8-21/h1-2,7,10H,3-6,8,21H2
InChIKeyRQGSZADTRKXPMU-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine (CID 169490391) is [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine is NCc1cc(C(F)(F)F)ccc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The InChIKey is RQGSZADTRKXPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2/c15-13(16,17)10-3-5-22(6-4-10)12-2-1-11(14(18,19)20)7-9(12)8-21/h1-2,7,10H,3-6,8,21H2.
What are the key properties of [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine has a molecular weight of 326.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 169490391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).