N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

C18H19F3N2 — CID 166061952

IUPACN-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESFC(F)(F)C1CCN(c2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-10-12-23(13-11-14)17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-9,14,22H,10-13H2
InChIKeySVLVZXKURYHNCI-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.21
Rot. Bonds3

About N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline

N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (PubChem CID 166061952) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
PubChem CID166061952
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
SMILESFC(F)(F)C1CCN(c2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-10-12-23(13-11-14)17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-9,14,22H,10-13H2
InChIKeySVLVZXKURYHNCI-UHFFFAOYSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3H-isoindol-1-one
CID 167300255
2-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-benzoxazol-3-one
CID 167300444
5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-2,3-dihydroisoindol-1-one
CID 167300425
1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
CID 167300671
4-morpholin-4-yl-N-phenylaniline
CID 159018746
2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
CID 167299959
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
CID 166062587
1-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062233
2-oxo-N-[[3-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 168752895
2-[2-(methylamino)-5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenoxy]acetaldehyde
CID 167300445
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The IUPAC name of N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline (CID 166061952) is N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline.
What is the SMILES notation for N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The canonical SMILES for N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is FC(F)(F)C1CCN(c2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
The InChIKey is SVLVZXKURYHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)14-10-12-23(13-11-14)17-8-6-16(7-9-17)22-15-4-2-1-3-5-15/h1-9,14,22H,10-13H2.
What are the key properties of N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline?
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline has a molecular weight of 320.36 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline is sourced from PubChem (CID 166061952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).