[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid

C15H32N2O4S — CID 159225831

IUPAC[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid
SMILESCN1CCCCC1C1CCCN(C)C1(C)CO.CS(=O)(=O)O
InChIInChI=1S/C14H28N2O.CH4O3S/c1-14(11-17)12(7-6-10-16(14)3)13-8-4-5-9-15(13)2;1-5(2,3)4/h12-13,17H,4-11H2,1-3H3;1H3,(H,2,3,4)
InChIKeySIWDYXMNHDCWIG-UHFFFAOYSA-N
MW336.50 g/mol
LogP1.07
Rot. Bonds2

About [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid

[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid (PubChem CID 159225831) has the molecular formula C15H32N2O4S and a molecular weight of 336.50 g/mol. Its IUPAC name is [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid.

Molecular Properties

Compound Name[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid
PubChem CID159225831
Molecular FormulaC15H32N2O4S
Molecular Weight336.50 g/mol
Exact Mass336.21
IUPAC Name[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid
SMILESCN1CCCCC1C1CCCN(C)C1(C)CO.CS(=O)(=O)O
InChIInChI=1S/C14H28N2O.CH4O3S/c1-14(11-17)12(7-6-10-16(14)3)13-8-4-5-9-15(13)2;1-5(2,3)4/h12-13,17H,4-11H2,1-3H3;1H3,(H,2,3,4)
InChIKeySIWDYXMNHDCWIG-UHFFFAOYSA-N
XLogP1.07
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid?
The IUPAC name of [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid (CID 159225831) is [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid.
What is the SMILES notation for [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid?
The canonical SMILES for [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid is CN1CCCCC1C1CCCN(C)C1(C)CO.CS(=O)(=O)O.
What is the InChIKey of [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid?
The InChIKey is SIWDYXMNHDCWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.CH4O3S/c1-14(11-17)12(7-6-10-16(14)3)13-8-4-5-9-15(13)2;1-5(2,3)4/h12-13,17H,4-11H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid?
[1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid has a molecular weight of 336.50 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dimethyl-3-(1-methylpiperidin-2-yl)piperidin-2-yl]methanol;methanesulfonic acid is sourced from PubChem (CID 159225831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).