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

C26H31N3O — CID 142218031

IUPACN-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCCc1ccccc1-c1cc(CN(c2ccc(OC)cc2)C2CCNCC2)ccn1
InChIInChI=1S/C26H31N3O/c1-3-21-6-4-5-7-25(21)26-18-20(12-17-28-26)19-29(23-13-15-27-16-14-23)22-8-10-24(30-2)11-9-22/h4-12,17-18,23,27H,3,13-16,19H2,1-2H3
InChIKeyDWGUIYOIUAXJIB-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.08
Rot. Bonds7

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

N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (PubChem CID 142218031) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
PubChem CID142218031
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine
SMILESCCc1ccccc1-c1cc(CN(c2ccc(OC)cc2)C2CCNCC2)ccn1
InChIInChI=1S/C26H31N3O/c1-3-21-6-4-5-7-25(21)26-18-20(12-17-28-26)19-29(23-13-15-27-16-14-23)22-8-10-24(30-2)11-9-22/h4-12,17-18,23,27H,3,13-16,19H2,1-2H3
InChIKeyDWGUIYOIUAXJIB-UHFFFAOYSA-N
XLogP5.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.08
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-(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-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352564
N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 142217715
N-(4-bromophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352421
N-(4-chlorophenyl)-N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906194
N-(4-bromophenyl)-N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906120
N-[4-(trifluoromethyl)phenyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352477
tert-butyl 4-[N-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-4-methoxyanilino]piperidine-1-carboxylate
CID 22557910
methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 158522355

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine (CID 142218031) is N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is CCc1ccccc1-c1cc(CN(c2ccc(OC)cc2)C2CCNCC2)ccn1.
What is the InChIKey of N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
The InChIKey is DWGUIYOIUAXJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-3-21-6-4-5-7-25(21)26-18-20(12-17-28-26)19-29(23-13-15-27-16-14-23)22-8-10-24(30-2)11-9-22/h4-12,17-18,23,27H,3,13-16,19H2,1-2H3.
What are the key properties of N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine?
N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine has a molecular weight of 401.55 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylphenyl)-4-pyridinyl]methyl]-N-(4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 142218031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).