1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine

C20H30N4O — CID 75439321

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine
SMILESCCn1nc(C)c(CN2CCC(Nc3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C20H30N4O/c1-5-24-16(3)20(15(2)22-24)14-23-11-9-17(10-12-23)21-18-7-6-8-19(13-18)25-4/h6-8,13,17,21H,5,9-12,14H2,1-4H3
InChIKeySWQABJVNNIYSEI-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.60
Rot. Bonds6

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine (PubChem CID 75439321) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine
PubChem CID75439321
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine
SMILESCCn1nc(C)c(CN2CCC(Nc3cccc(OC)c3)CC2)c1C
InChIInChI=1S/C20H30N4O/c1-5-24-16(3)20(15(2)22-24)14-23-11-9-17(10-12-23)21-18-7-6-8-19(13-18)25-4/h6-8,13,17,21H,5,9-12,14H2,1-4H3
InChIKeySWQABJVNNIYSEI-UHFFFAOYSA-N
XLogP3.60
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
CID 138027618
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 70786667
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
N-(4,4-difluorocyclohexyl)-3-methoxyaniline
CID 171662901
2-chloro-N-[N'-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-(3-methoxyphenyl)carbamimidoyl]benzamide
CID 46294215
N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide
CID 46293004
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111036413
methyl 4-[[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoate
CID 26403501

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine (CID 75439321) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine is CCn1nc(C)c(CN2CCC(Nc3cccc(OC)c3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine?
The InChIKey is SWQABJVNNIYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-24-16(3)20(15(2)22-24)14-23-11-9-17(10-12-23)21-18-7-6-8-19(13-18)25-4/h6-8,13,17,21H,5,9-12,14H2,1-4H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 75439321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).