N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

C25H29N3O — CID 142217884

IUPACN-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3cccc(C)c3)c2)C2CCNCC2)cc1
InChIInChI=1S/C25H29N3O/c1-19-4-3-5-21(16-19)25-17-20(10-15-27-25)18-28(23-11-13-26-14-12-23)22-6-8-24(29-2)9-7-22/h3-10,15-17,23,26H,11-14,18H2,1-2H3
InChIKeyBXYFIFYBMIWEBQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.82
Rot. Bonds6

About N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 142217884) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
PubChem CID142217884
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
SMILESCOc1ccc(N(Cc2ccnc(-c3cccc(C)c3)c2)C2CCNCC2)cc1
InChIInChI=1S/C25H29N3O/c1-19-4-3-5-21(16-19)25-17-20(10-15-27-25)18-28(23-11-13-26-14-12-23)22-6-8-24(29-2)9-7-22/h3-10,15-17,23,26H,11-14,18H2,1-2H3
InChIKeyBXYFIFYBMIWEBQ-UHFFFAOYSA-N
XLogP4.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 22558022
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
CID 142218031
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352564
N-(4-methylphenyl)-N-[[2-(2-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352395
N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352477
N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352421
N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 142217715
N-(4-chlorophenyl)-N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906194
tert-butyl 4-[N-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-4-methoxyanilino]piperidine-1-carboxylate
CID 22557910
[4-[N-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-4-methoxyanilino]piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142906181
N-(4-methoxyphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174095

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 142217884) is N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is COc1ccc(N(Cc2ccnc(-c3cccc(C)c3)c2)C2CCNCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
The InChIKey is BXYFIFYBMIWEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-19-4-3-5-21(16-19)25-17-20(10-15-27-25)18-28(23-11-13-26-14-12-23)22-6-8-24(29-2)9-7-22/h3-10,15-17,23,26H,11-14,18H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?
N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[[2-(3-methylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 142217884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).