5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide

C16H23NO6S — CID 141306174

IUPAC5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)OCC(c2ccc(OCCOC3CCNCC3)cc2)CO1
InChIInChI=1S/C16H23NO6S/c18-24(19)22-11-14(12-23-24)13-1-3-15(4-2-13)20-9-10-21-16-5-7-17-8-6-16/h1-4,14,16-17H,5-12H2
InChIKeyVZBLCKXLGOBPLJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.21
Rot. Bonds6

About 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide

5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 141306174) has the molecular formula C16H23NO6S and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide
PubChem CID141306174
Molecular FormulaC16H23NO6S
Molecular Weight357.43 g/mol
Exact Mass357.12
IUPAC Name5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)OCC(c2ccc(OCCOC3CCNCC3)cc2)CO1
InChIInChI=1S/C16H23NO6S/c18-24(19)22-11-14(12-23-24)13-1-3-15(4-2-13)20-9-10-21-16-5-7-17-8-6-16/h1-4,14,16-17H,5-12H2
InChIKeyVZBLCKXLGOBPLJ-UHFFFAOYSA-N
XLogP1.21
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
3-[2-(4-bromophenoxy)ethoxy]pyrrolidine
CID 62327569
4-(4-octoxyphenyl)piperidine
CID 90176821
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
4-[3-[4-(trifluoromethyl)phenoxy]propoxy]piperidine;hydrochloride
CID 164533496
4-(4-ethoxyphenyl)piperidine
CID 21495191
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
4-[4-[3-(2-chlorophenoxy)propoxy]phenyl]piperidine
CID 70333215
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
4-[2-(oxolan-3-yloxy)ethoxy]benzonitrile
CID 63557241
4-[4-[3-(3,5-difluorophenoxy)propoxy]phenyl]piperidine
CID 67598806

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide (CID 141306174) is 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide is O=S1(=O)OCC(c2ccc(OCCOC3CCNCC3)cc2)CO1.
What is the InChIKey of 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is VZBLCKXLGOBPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6S/c18-24(19)22-11-14(12-23-24)13-1-3-15(4-2-13)20-9-10-21-16-5-7-17-8-6-16/h1-4,14,16-17H,5-12H2.
What are the key properties of 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide?
5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 357.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-piperidin-4-yloxyethoxy)phenyl]-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 141306174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).