N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

C12H15F3N2O2S — CID 2776457

IUPACN-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1cccc(NC2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-2-10(8-11)17-9-4-6-16-7-5-9/h1-3,8-9,16-17H,4-7H2
InChIKeyROFHAFYHOWVRTC-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.14
Rot. Bonds3

About N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine

N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 2776457) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID2776457
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1cccc(NC2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-2-10(8-11)17-9-4-6-16-7-5-9/h1-3,8-9,16-17H,4-7H2
InChIKeyROFHAFYHOWVRTC-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 2776457) is N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is O=S(=O)(c1cccc(NC2CCNCC2)c1)C(F)(F)F.
What is the InChIKey of N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is ROFHAFYHOWVRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-2-10(8-11)17-9-4-6-16-7-5-9/h1-3,8-9,16-17H,4-7H2.
What are the key properties of N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine has a molecular weight of 308.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 2776457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).