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

C15H19F3N2O2S — CID 47028034

IUPAC1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccc(NC2CCN(C3CC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)23(21,22)14-5-1-11(2-6-14)19-12-7-9-20(10-8-12)13-3-4-13/h1-2,5-6,12-13,19H,3-4,7-10H2
InChIKeyOSBBAQFNARKMRB-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.02
Rot. Bonds4

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

1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 47028034) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID47028034
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccc(NC2CCN(C3CC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)23(21,22)14-5-1-11(2-6-14)19-12-7-9-20(10-8-12)13-3-4-13/h1-2,5-6,12-13,19H,3-4,7-10H2
InChIKeyOSBBAQFNARKMRB-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 47028034) is 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is O=S(=O)(c1ccc(NC2CCN(C3CC3)CC2)cc1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is OSBBAQFNARKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)23(21,22)14-5-1-11(2-6-14)19-12-7-9-20(10-8-12)13-3-4-13/h1-2,5-6,12-13,19H,3-4,7-10H2.
What are the key properties of 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine has a molecular weight of 348.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 47028034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).