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

C16H23F3N2O2S — CID 123500616

IUPAC1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2S/c1-15(2,3)21-10-8-12(9-11-21)20-13-6-4-5-7-14(13)24(22,23)16(17,18)19/h4-7,12,20H,8-11H2,1-3H3
InChIKeyZTWDKCHTMMRQPK-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.65
Rot. Bonds3

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

1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 123500616) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID123500616
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC Name1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O2S/c1-15(2,3)21-10-8-12(9-11-21)20-13-6-4-5-7-14(13)24(22,23)16(17,18)19/h4-7,12,20H,8-11H2,1-3H3
InChIKeyZTWDKCHTMMRQPK-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 123500616) is 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is CC(C)(C)N1CCC(Nc2ccccc2S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is ZTWDKCHTMMRQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-15(2,3)21-10-8-12(9-11-21)20-13-6-4-5-7-14(13)24(22,23)16(17,18)19/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine has a molecular weight of 364.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 123500616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).