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

C12H15F3N2O2S — CID 43455238

IUPACN-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccc(NC2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16-17H,5-8H2
InChIKeyIXPZFULKCWDTOE-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.14
Rot. Bonds3

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

N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (PubChem CID 43455238) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
PubChem CID43455238
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
SMILESO=S(=O)(c1ccc(NC2CCNCC2)cc1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16-17H,5-8H2
InChIKeyIXPZFULKCWDTOE-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

Analyze N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
CID 115043703
1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
CID 86724904
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
N-(2-cyclopentylethyl)-4-(trifluoromethylsulfonyl)aniline
CID 63536611
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120706275
N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
CID 141036211
[4-(azepan-4-ylamino)phenyl]methanesulfonamide
CID 103981467
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine (CID 43455238) is N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is O=S(=O)(c1ccc(NC2CCNCC2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
The InChIKey is IXPZFULKCWDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)20(18,19)11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16-17H,5-8H2.
What are the key properties of N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine?
N-[4-(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-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 43455238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).