1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol

C20H29N3O2 — CID 46966161

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCCn1nc(C)c(CN2CCC(O)(c3ccccc3OC)CC2)c1C
InChIInChI=1S/C20H29N3O2/c1-5-23-16(3)17(15(2)21-23)14-22-12-10-20(24,11-13-22)18-8-6-7-9-19(18)25-4/h6-9,24H,5,10-14H2,1-4H3
InChIKeyMWYDGYXCJXLNEZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds5

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (PubChem CID 46966161) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
PubChem CID46966161
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
SMILESCCn1nc(C)c(CN2CCC(O)(c3ccccc3OC)CC2)c1C
InChIInChI=1S/C20H29N3O2/c1-5-23-16(3)17(15(2)21-23)14-22-12-10-20(24,11-13-22)18-8-6-7-9-19(18)25-4/h6-9,24H,5,10-14H2,1-4H3
InChIKeyMWYDGYXCJXLNEZ-UHFFFAOYSA-N
XLogP3.01
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol (CID 46966161) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol is CCn1nc(C)c(CN2CCC(O)(c3ccccc3OC)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
The InChIKey is MWYDGYXCJXLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-23-16(3)17(15(2)21-23)14-22-12-10-20(24,11-13-22)18-8-6-7-9-19(18)25-4/h6-9,24H,5,10-14H2,1-4H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol has a molecular weight of 343.47 g/mol, XLogP of 3.01, 5 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]-4-(2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 46966161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).