N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

C27H30F3N3O — CID 21352468

IUPACN-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C27H30F3N3O/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(24-9-11-31-12-10-24)23-4-6-25(7-5-23)34-27(28,29)30/h4-8,13-16,24,31H,9-12,17H2,1-3H3
InChIKeyTXBJDEZVEQESLX-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.33
Rot. Bonds6

About N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352468) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352468
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C27H30F3N3O/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(24-9-11-31-12-10-24)23-4-6-25(7-5-23)34-27(28,29)30/h4-8,13-16,24,31H,9-12,17H2,1-3H3
InChIKeyTXBJDEZVEQESLX-UHFFFAOYSA-N
XLogP6.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]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

2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
N-(4-methoxyphenyl)benzo[g]quinolin-4-amine;hydrochloride
CID 2920780
N-{2-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}-N'-(2-phenylethyl)ethanediamide
CID 16017409
N'-(4-Methoxyphenyl)-N-[2-(pyridin-3-YL)-2-(1,2,3,4-tetrahydroisoquinolin-2-YL)ethyl]ethanediamide
CID 16017457
N',N'-diethyl-N-[6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamine
CID 44389361
1-N,1-N-diethyl-4-N-[6-(trifluoromethoxy)quinolin-4-yl]pentane-1,4-diamine
CID 44389380
N-(4-phenoxyphenyl)-6-pyridin-4-yl-2-(trifluoromethyl)quinolin-4-amine;hydrochloride
CID 44532612
(2S,5R)-1-[(S)-(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enylpiperazine
CID 46877765
N-(4-methoxyphenyl)-6-(trifluoromethyl)quinolin-4-amine
CID 52092877
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
CID 155549441
N-[(E)-3-(4-phenoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166627780
1-(isoquinolin-5-ylmethyl)-N-(4-methoxyphenyl)piperidin-3-amine
CID 23723420

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 21352468) is N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is Cc1cc(-c2cc(CN(c3ccc(OC(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is TXBJDEZVEQESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(24-9-11-31-12-10-24)23-4-6-25(7-5-23)34-27(28,29)30/h4-8,13-16,24,31H,9-12,17H2,1-3H3.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 469.55 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).