N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

C43H46F3N3O — CID 21352463

IUPACN-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cccc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(OC(F)(F)F)cc4)CC3)c2)cc(C)c1C
InChIInChI=1S/C43H46F3N3O/c1-28-20-37(21-29(2)32(28)5)36-9-7-8-34(24-36)26-48-18-15-40(16-19-48)49(39-10-12-41(13-11-39)50-43(44,45)46)27-35-14-17-47-42(25-35)38-22-30(3)33(6)31(4)23-38/h7-14,17,20-25,40H,15-16,18-19,26-27H2,1-6H3
InChIKeyNDBJNDPLVTVNAY-UHFFFAOYSA-N
MW677.85 g/mol
LogP10.84
Rot. Bonds9

About N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352463) has the molecular formula C43H46F3N3O and a molecular weight of 677.85 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352463
Molecular FormulaC43H46F3N3O
Molecular Weight677.85 g/mol
Exact Mass677.36
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cccc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(OC(F)(F)F)cc4)CC3)c2)cc(C)c1C
InChIInChI=1S/C43H46F3N3O/c1-28-20-37(21-29(2)32(28)5)36-9-7-8-34(24-36)26-48-18-15-40(16-19-48)49(39-10-12-41(13-11-39)50-43(44,45)46)27-35-14-17-47-42(25-35)38-22-30(3)33(6)31(4)23-38/h7-14,17,20-25,40H,15-16,18-19,26-27H2,1-6H3
InChIKeyNDBJNDPLVTVNAY-UHFFFAOYSA-N
XLogP10.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

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(2S,5R)-1-[(S)-(3-methoxyphenyl)-(4-pyridin-2-ylphenyl)methyl]-2,5-dimethyl-4-prop-2-enylpiperazine
CID 46877765
1-(isoquinolin-5-ylmethyl)-N-(4-methoxyphenyl)piperidin-3-amine
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CID 56669059
2-(2,6-diethylphenyl)-4-methoxy-5-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5,6,7,8-tetrahydroquinoline
CID 44450439
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CID 86341883
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3-(4-Methoxyphenyl)-8-[(3-pyridin-3-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
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N-[4-(4-fluorophenyl)phenyl]-4-(4-methoxyphenyl)-N-(4-pyridin-3-ylphenyl)aniline
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4-(4-Methoxyphenyl)-3-phenyl-7-(trifluoromethyl)isoquinoline
CID 102433056
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CID 134833888

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 21352463) is N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is Cc1cc(-c2cccc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(OC(F)(F)F)cc4)CC3)c2)cc(C)c1C.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is NDBJNDPLVTVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46F3N3O/c1-28-20-37(21-29(2)32(28)5)36-9-7-8-34(24-36)26-48-18-15-40(16-19-48)49(39-10-12-41(13-11-39)50-43(44,45)46)27-35-14-17-47-42(25-35)38-22-30(3)33(6)31(4)23-38/h7-14,17,20-25,40H,15-16,18-19,26-27H2,1-6H3.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 677.85 g/mol, XLogP of 10.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).