1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

C20H30N4O — CID 51105415

IUPAC1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCc1ccccc1N1CCC(NCc2c(C)nn(C)c2OC)CC1
InChIInChI=1S/C20H30N4O/c1-5-16-8-6-7-9-19(16)24-12-10-17(11-13-24)21-14-18-15(2)22-23(3)20(18)25-4/h6-9,17,21H,5,10-14H2,1-4H3
InChIKeyGDKNQGKXVGRXAI-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 51105415) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID51105415
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCc1ccccc1N1CCC(NCc2c(C)nn(C)c2OC)CC1
InChIInChI=1S/C20H30N4O/c1-5-16-8-6-7-9-19(16)24-12-10-17(11-13-24)21-14-18-15(2)22-23(3)20(18)25-4/h6-9,17,21H,5,10-14H2,1-4H3
InChIKeyGDKNQGKXVGRXAI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 51105415) is 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is CCc1ccccc1N1CCC(NCc2c(C)nn(C)c2OC)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is GDKNQGKXVGRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-5-16-8-6-7-9-19(16)24-12-10-17(11-13-24)21-14-18-15(2)22-23(3)20(18)25-4/h6-9,17,21H,5,10-14H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 51105415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).