N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C18H20F3N3 — CID 119111040

IUPACN-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3ccccc3)CC2)nc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-6-7-17(23-13-15)24-10-8-16(9-11-24)22-12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
InChIKeyGCWTUQMZKLSMRW-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.86
Rot. Bonds4

About N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 119111040) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID119111040
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCC(NCc3ccccc3)CC2)nc1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-6-7-17(23-13-15)24-10-8-16(9-11-24)22-12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
InChIKeyGCWTUQMZKLSMRW-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 119111040) is N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is FC(F)(F)c1ccc(N2CCC(NCc3ccccc3)CC2)nc1.
What is the InChIKey of N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is GCWTUQMZKLSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)15-6-7-17(23-13-15)24-10-8-16(9-11-24)22-12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2.
What are the key properties of N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 119111040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).