2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C19H22F3N3 — CID 58227935

IUPAC2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H22F3N3/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14/h1-7,13,15,17H,8-12,23H2
InChIKeyNBHANBNLKANHGD-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 58227935) has the molecular formula C19H22F3N3 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID58227935
Molecular FormulaC19H22F3N3
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H22F3N3/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14/h1-7,13,15,17H,8-12,23H2
InChIKeyNBHANBNLKANHGD-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 58227935) is 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is NCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is NBHANBNLKANHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14/h1-7,13,15,17H,8-12,23H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 349.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 58227935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).