piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate

C25H33NO4 — CID 122476177

IUPACpiperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
SMILESCc1cc(OCC(=O)OC2CCNCC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C25H33NO4/c1-16(2)22-13-19(5-6-24(22)27)14-23-17(3)11-21(12-18(23)4)29-15-25(28)30-20-7-9-26-10-8-20/h5-6,11-13,16,20,26-27H,7-10,14-15H2,1-4H3
InChIKeyGLYTXVJSKCURHP-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.40
Rot. Bonds7

About piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate

piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate (PubChem CID 122476177) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
PubChem CID122476177
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Namepiperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
SMILESCc1cc(OCC(=O)OC2CCNCC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C25H33NO4/c1-16(2)22-13-19(5-6-24(22)27)14-23-17(3)11-21(12-18(23)4)29-15-25(28)30-20-7-9-26-10-8-20/h5-6,11-13,16,20,26-27H,7-10,14-15H2,1-4H3
InChIKeyGLYTXVJSKCURHP-UHFFFAOYSA-N
XLogP4.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?
The IUPAC name of piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate (CID 122476177) is piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate.
What is the SMILES notation for piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?
The canonical SMILES for piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate is Cc1cc(OCC(=O)OC2CCNCC2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?
The InChIKey is GLYTXVJSKCURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-16(2)22-13-19(5-6-24(22)27)14-23-17(3)11-21(12-18(23)4)29-15-25(28)30-20-7-9-26-10-8-20/h5-6,11-13,16,20,26-27H,7-10,14-15H2,1-4H3.
What are the key properties of piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate?
piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate has a molecular weight of 411.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate is sourced from PubChem (CID 122476177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).