4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine

C13H18F3N3 — CID 144655800

IUPAC4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
SMILESNc1ccc(NC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h1-4,12,18H,5-9,17H2
InChIKeyUMIKFDLLZANODU-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.71
Rot. Bonds3

About 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine

4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine (PubChem CID 144655800) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
PubChem CID144655800
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
SMILESNc1ccc(NC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h1-4,12,18H,5-9,17H2
InChIKeyUMIKFDLLZANODU-UHFFFAOYSA-N
XLogP2.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
N-(4-aminophenyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 62967404
1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60932164
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]aniline
CID 62966638
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 107648861
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133343058
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
N-(4-iodo-2-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785266

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine (CID 144655800) is 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine is Nc1ccc(NC2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine?
The InChIKey is UMIKFDLLZANODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)9-19-7-5-12(6-8-19)18-11-3-1-10(17)2-4-11/h1-4,12,18H,5-9,17H2.
What are the key properties of 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine?
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine has a molecular weight of 273.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine is sourced from PubChem (CID 144655800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).