3-(3-methoxypiperidin-1-yl)propyl methanesulfonate

C10H21NO4S — CID 90288393

IUPAC3-(3-methoxypiperidin-1-yl)propyl methanesulfonate
SMILESCOC1CCCN(CCCOS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO4S/c1-14-10-5-3-6-11(9-10)7-4-8-15-16(2,12)13/h10H,3-9H2,1-2H3
InChIKeyZVZKTJHIUHSHRA-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.46
Rot. Bonds6

About 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate

3-(3-methoxypiperidin-1-yl)propyl methanesulfonate (PubChem CID 90288393) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)propyl methanesulfonate
PubChem CID90288393
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-(3-methoxypiperidin-1-yl)propyl methanesulfonate
SMILESCOC1CCCN(CCCOS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO4S/c1-14-10-5-3-6-11(9-10)7-4-8-15-16(2,12)13/h10H,3-9H2,1-2H3
InChIKeyZVZKTJHIUHSHRA-UHFFFAOYSA-N
XLogP0.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2-Methylpropan-2-yl)oxy]-1-methylsulfonylpiperidine
CID 21061561
1-Methylpiperidin-3-yl methanesulfonate
CID 55266256
[3-Methoxy-1-(2-sulfanylethyl)piperidin-1-ium-1-yl] methanesulfonate
CID 57006456
N-(3-methoxy-1-methylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 58035116
3-Methoxy-1-methylsulfonylpiperidine
CID 58826606
cis-3-(Morpholin-4-ylmethyl)cyclobutyl Methanesulfonate
CID 86630393
(1-Tert-butylpiperidin-3-yl) methanesulfonate
CID 89561157
(1-Ethyl-4-methylpiperidin-3-yl) methanesulfonate
CID 90985497
(1,4-Dimethylpiperidin-3-yl) methanesulfonate
CID 91390348
3-Methoxy-4-methyl-1-methylsulfonylpiperidine
CID 102675615
2-(4-Methylmorpholin-2-yl)ethyl methanesulfonate
CID 117836974
1-(Oxetan-3-yl)piperidin-4-yl methanesulfonate
CID 121365308

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate (CID 90288393) is 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate is COC1CCCN(CCCOS(C)(=O)=O)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate?
The InChIKey is ZVZKTJHIUHSHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-14-10-5-3-6-11(9-10)7-4-8-15-16(2,12)13/h10H,3-9H2,1-2H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate?
3-(3-methoxypiperidin-1-yl)propyl methanesulfonate has a molecular weight of 251.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)propyl methanesulfonate is sourced from PubChem (CID 90288393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).