(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

C20H27N3O2 — CID 146086308

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)18-17(13-22(4)21-18)19(25)23-11-9-15(10-12-23)14-5-7-16(24)8-6-14/h5-8,13,15,24H,9-12H2,1-4H3
InChIKeyWHERLHLCRNDENC-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.44
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone

(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (PubChem CID 146086308) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
PubChem CID146086308
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)18-17(13-22(4)21-18)19(25)23-11-9-15(10-12-23)14-5-7-16(24)8-6-14/h5-8,13,15,24H,9-12H2,1-4H3
InChIKeyWHERLHLCRNDENC-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone (CID 146086308) is (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
The InChIKey is WHERLHLCRNDENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)18-17(13-22(4)21-18)19(25)23-11-9-15(10-12-23)14-5-7-16(24)8-6-14/h5-8,13,15,24H,9-12H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone?
(3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 146086308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).