1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine

C29H34F3N5 — CID 122527262

IUPAC1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(N2CCN(c3ccnc(N4CCC(Nc5ccc(C)c(C(F)(F)F)c5)CC4)c3)CC2)cc1
InChIInChI=1S/C29H34F3N5/c1-21-3-7-25(8-4-21)35-15-17-36(18-16-35)26-9-12-33-28(20-26)37-13-10-23(11-14-37)34-24-6-5-22(2)27(19-24)29(30,31)32/h3-9,12,19-20,23,34H,10-11,13-18H2,1-2H3
InChIKeyLKZNIYNGGGOYLN-UHFFFAOYSA-N
MW509.62 g/mol
LogP6.12
Rot. Bonds5

About 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine

1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 122527262) has the molecular formula C29H34F3N5 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID122527262
Molecular FormulaC29H34F3N5
Molecular Weight509.62 g/mol
Exact Mass509.28
IUPAC Name1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(N2CCN(c3ccnc(N4CCC(Nc5ccc(C)c(C(F)(F)F)c5)CC4)c3)CC2)cc1
InChIInChI=1S/C29H34F3N5/c1-21-3-7-25(8-4-21)35-15-17-36(18-16-35)26-9-12-33-28(20-26)37-13-10-23(11-14-37)34-24-6-5-22(2)27(19-24)29(30,31)32/h3-9,12,19-20,23,34H,10-11,13-18H2,1-2H3
InChIKeyLKZNIYNGGGOYLN-UHFFFAOYSA-N
XLogP6.12
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine with MolForge

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
methane;3-[1-(4-methylphenyl)piperidin-4-yl]-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 161081396
N-[4-methyl-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081917
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 58118347
3-(trifluoromethyl)-4-[[1-[2-[4-[5-(trifluoromethyl)-3,4-dihydropyridin-2-yl]piperazin-1-yl]-4-pyridinyl]piperidin-4-yl]amino]benzonitrile
CID 144843848
2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118367
N-(3,5-dimethoxyphenyl)-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 122144100
4-(4-tert-butylphenyl)-N-methyl-N-[[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]methyl]piperazine-1-carboxamide
CID 58118430
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
1-[4-[4-ethynyl-3-(trifluoromethyl)anilino]piperidin-1-yl]-4-[1-(4-methylphenyl)piperidin-4-yl]butan-1-one
CID 130211433
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 61228821

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine (CID 122527262) is 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine is Cc1ccc(N2CCN(c3ccnc(N4CCC(Nc5ccc(C)c(C(F)(F)F)c5)CC4)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is LKZNIYNGGGOYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N5/c1-21-3-7-25(8-4-21)35-15-17-36(18-16-35)26-9-12-33-28(20-26)37-13-10-23(11-14-37)34-24-6-5-22(2)27(19-24)29(30,31)32/h3-9,12,19-20,23,34H,10-11,13-18H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine?
1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 509.62 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 122527262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).