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

C27H30F3N3 — CID 21352477

IUPACN-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(C(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C27H30F3N3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(25-9-11-31-12-10-25)24-6-4-23(5-7-24)27(28,29)30/h4-8,13-16,25,31H,9-12,17H2,1-3H3
InChIKeyNFIDPJPRTAOHSP-UHFFFAOYSA-N
MW453.55 g/mol
LogP6.45
Rot. Bonds5

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

N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352477) has the molecular formula C27H30F3N3 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352477
Molecular FormulaC27H30F3N3
Molecular Weight453.55 g/mol
Exact Mass453.24
IUPAC NameN-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(C(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C27H30F3N3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(25-9-11-31-12-10-25)24-6-4-23(5-7-24)27(28,29)30/h4-8,13-16,25,31H,9-12,17H2,1-3H3
InChIKeyNFIDPJPRTAOHSP-UHFFFAOYSA-N
XLogP6.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352564
N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352421
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142217884
N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 22558022
N-(4-methylphenyl)-N-[[2-(2-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352395
N-[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 162040484
tert-butyl 4-[4-(trifluoromethoxy)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 21352602
N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 142217715
tert-butyl 4-[4-chloro-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 21352596
1-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 161333422
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 21352477) is N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is Cc1cc(-c2cc(CN(c3ccc(C(F)(F)F)cc3)C3CCNCC3)ccn2)cc(C)c1C.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is NFIDPJPRTAOHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-32-26)17-33(25-9-11-31-12-10-25)24-6-4-23(5-7-24)27(28,29)30/h4-8,13-16,25,31H,9-12,17H2,1-3H3.
What are the key properties of N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 453.55 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).