1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone

C18H25NO4 — CID 126841753

IUPAC1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCCC(O)C1CCc1ccccc1
InChIInChI=1S/C18H25NO4/c20-16-7-4-10-19(18(21)17-13-22-11-12-23-17)15(16)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20H,4,7-13H2
InChIKeyAUCKLLSIRIKMCM-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.39
Rot. Bonds4

About 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone

1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 126841753) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID126841753
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCCC(O)C1CCc1ccccc1
InChIInChI=1S/C18H25NO4/c20-16-7-4-10-19(18(21)17-13-22-11-12-23-17)15(16)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20H,4,7-13H2
InChIKeyAUCKLLSIRIKMCM-UHFFFAOYSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 126841753) is 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone is O=C(C1COCCO1)N1CCCC(O)C1CCc1ccccc1.
What is the InChIKey of 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is AUCKLLSIRIKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-16-7-4-10-19(18(21)17-13-22-11-12-23-17)15(16)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20H,4,7-13H2.
What are the key properties of 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone?
1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126841753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).