2-piperidin-4-ylethyl hydrogen sulfite

C7H15NO3S — CID 174455298

IUPAC2-piperidin-4-ylethyl hydrogen sulfite
SMILESO=S(O)OCCC1CCNCC1
InChIInChI=1S/C7H15NO3S/c9-12(10)11-6-3-7-1-4-8-5-2-7/h7-8H,1-6H2,(H,9,10)
InChIKeyFERFKQLMNWFEKX-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.53
Rot. Bonds4

About 2-piperidin-4-ylethyl hydrogen sulfite

2-piperidin-4-ylethyl hydrogen sulfite (PubChem CID 174455298) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl hydrogen sulfite.

Molecular Properties

Compound Name2-piperidin-4-ylethyl hydrogen sulfite
PubChem CID174455298
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-piperidin-4-ylethyl hydrogen sulfite
SMILESO=S(O)OCCC1CCNCC1
InChIInChI=1S/C7H15NO3S/c9-12(10)11-6-3-7-1-4-8-5-2-7/h7-8H,1-6H2,(H,9,10)
InChIKeyFERFKQLMNWFEKX-UHFFFAOYSA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
2-piperidin-4-ylethyl propanoate
CID 53408774
2-piperidin-4-ylethyl butanoate
CID 174737441
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
5-chloro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71640164
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887
4-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 56829997
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
3-pyrrolidin-3-ylpropane-1-sulfinic acid
CID 67270019
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl hydrogen sulfite?
The IUPAC name of 2-piperidin-4-ylethyl hydrogen sulfite (CID 174455298) is 2-piperidin-4-ylethyl hydrogen sulfite.
What is the SMILES notation for 2-piperidin-4-ylethyl hydrogen sulfite?
The canonical SMILES for 2-piperidin-4-ylethyl hydrogen sulfite is O=S(O)OCCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylethyl hydrogen sulfite?
The InChIKey is FERFKQLMNWFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-12(10)11-6-3-7-1-4-8-5-2-7/h7-8H,1-6H2,(H,9,10).
What are the key properties of 2-piperidin-4-ylethyl hydrogen sulfite?
2-piperidin-4-ylethyl hydrogen sulfite has a molecular weight of 193.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethyl hydrogen sulfite is sourced from PubChem (CID 174455298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).