1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H19F3N2 — CID 4962677

IUPAC1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyWWZHELMAWQPKCQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.80
Rot. Bonds4

About 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 4962677) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID4962677
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2
InChIKeyWWZHELMAWQPKCQ-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 4962677) is 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WWZHELMAWQPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)11-18-13-6-8-19(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,18H,6-11H2.
What are the key properties of 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 4962677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).