1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

C19H21F3N2O2S — CID 71897023

IUPAC1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccccc1NC1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2S/c20-19(21,22)27(25,26)18-9-5-4-8-17(18)23-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2
InChIKeyWSGPDLUYTPXFOQ-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.06
Rot. Bonds5

About 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 71897023) has the molecular formula C19H21F3N2O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID71897023
Molecular FormulaC19H21F3N2O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC Name1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccccc1NC1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C19H21F3N2O2S/c20-19(21,22)27(25,26)18-9-5-4-8-17(18)23-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2
InChIKeyWSGPDLUYTPXFOQ-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 71897023) is 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is O=S(=O)(c1ccccc1NC1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is WSGPDLUYTPXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2S/c20-19(21,22)27(25,26)18-9-5-4-8-17(18)23-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,23H,10-14H2.
What are the key properties of 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine has a molecular weight of 398.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 71897023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).