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

C26H30BrN3 — CID 21352421

IUPACN-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(Br)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C26H30BrN3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-29-26)17-30(25-9-11-28-12-10-25)24-6-4-23(27)5-7-24/h4-8,13-16,25,28H,9-12,17H2,1-3H3
InChIKeyYJGFNFOARLHOKC-UHFFFAOYSA-N
MW464.45 g/mol
LogP6.19
Rot. Bonds5

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

N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 21352421) has the molecular formula C26H30BrN3 and a molecular weight of 464.45 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
PubChem CID21352421
Molecular FormulaC26H30BrN3
Molecular Weight464.45 g/mol
Exact Mass463.16
IUPAC NameN-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCc1cc(-c2cc(CN(c3ccc(Br)cc3)C3CCNCC3)ccn2)cc(C)c1C
InChIInChI=1S/C26H30BrN3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-29-26)17-30(25-9-11-28-12-10-25)24-6-4-23(27)5-7-24/h4-8,13-16,25,28H,9-12,17H2,1-3H3
InChIKeyYJGFNFOARLHOKC-UHFFFAOYSA-N
XLogP6.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352477
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-(4-bromophenyl)-N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906120
N-(4-methylphenyl)-N-[[2-(2-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352395
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-[[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
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352563
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
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 160932241
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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 21352421) is N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is Cc1cc(-c2cc(CN(c3ccc(Br)cc3)C3CCNCC3)ccn2)cc(C)c1C.
What is the InChIKey of N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is YJGFNFOARLHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrN3/c1-18-14-22(15-19(2)20(18)3)26-16-21(8-13-29-26)17-30(25-9-11-28-12-10-25)24-6-4-23(27)5-7-24/h4-8,13-16,25,28H,9-12,17H2,1-3H3.
What are the key properties of N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 464.45 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 21352421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).