4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

C20H23N3O2S — CID 16673543

IUPAC4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C20H23N3O2S/c1-25-17-6-3-2-5-16(17)20(24)8-10-23(11-9-20)14-15-13-21-22-19(15)18-7-4-12-26-18/h2-7,12-13,24H,8-11,14H2,1H3,(H,21,22)
InChIKeyOXEZVQWGKBKYSZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.63
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (PubChem CID 16673543) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
PubChem CID16673543
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESCOc1ccccc1C1(O)CCN(Cc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C20H23N3O2S/c1-25-17-6-3-2-5-16(17)20(24)8-10-23(11-9-20)14-15-13-21-22-19(15)18-7-4-12-26-18/h2-7,12-13,24H,8-11,14H2,1H3,(H,21,22)
InChIKeyOXEZVQWGKBKYSZ-UHFFFAOYSA-N
XLogP3.63
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (CID 16673543) is 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is COc1ccccc1C1(O)CCN(Cc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is OXEZVQWGKBKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-25-17-6-3-2-5-16(17)20(24)8-10-23(11-9-20)14-15-13-21-22-19(15)18-7-4-12-26-18/h2-7,12-13,24H,8-11,14H2,1H3,(H,21,22).
What are the key properties of 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 369.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16673543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).