2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

C16H23F3N2O2S — CID 51133179

IUPAC2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-11-5-7-13(8-6-11)24(22,23)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3
InChIKeyWEWCSLONGMAIMO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.70
Rot. Bonds3

About 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 51133179) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID51133179
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC Name2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESCC1(C)CC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC(C)(C)N1
InChIInChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-11-5-7-13(8-6-11)24(22,23)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3
InChIKeyWEWCSLONGMAIMO-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 51133179) is 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is CC1(C)CC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is WEWCSLONGMAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-14(2)9-12(10-15(3,4)21-14)20-11-5-7-13(8-6-11)24(22,23)16(17,18)19/h5-8,12,20-21H,9-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine has a molecular weight of 364.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 51133179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).