2-butyl-1-methylpiperidine;methanesulfonic acid

C11H25NO3S — CID 175583536

IUPAC2-butyl-1-methylpiperidine;methanesulfonic acid
SMILESCCCCC1CCCCN1C.CS(=O)(=O)O
InChIInChI=1S/C10H21N.CH4O3S/c1-3-4-7-10-8-5-6-9-11(10)2;1-5(2,3)4/h10H,3-9H2,1-2H3;1H3,(H,2,3,4)
InChIKeyLVYPUJGIRJUFHD-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.16
Rot. Bonds3

About 2-butyl-1-methylpiperidine;methanesulfonic acid

2-butyl-1-methylpiperidine;methanesulfonic acid (PubChem CID 175583536) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-butyl-1-methylpiperidine;methanesulfonic acid.

Molecular Properties

Compound Name2-butyl-1-methylpiperidine;methanesulfonic acid
PubChem CID175583536
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-butyl-1-methylpiperidine;methanesulfonic acid
SMILESCCCCC1CCCCN1C.CS(=O)(=O)O
InChIInChI=1S/C10H21N.CH4O3S/c1-3-4-7-10-8-5-6-9-11(10)2;1-5(2,3)4/h10H,3-9H2,1-2H3;1H3,(H,2,3,4)
InChIKeyLVYPUJGIRJUFHD-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
2-butyl-1-methylpyrrolidine;fluoroform;prop-2-ene-1-sulfonic acid
CID 174876415
1-methyl-2-tetradecylpyrrolidine
CID 24796983
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
1,2-dibutylpyrrolidine;trifluoromethanesulfonic acid
CID 175849542
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpiperidine;methanesulfonic acid?
The IUPAC name of 2-butyl-1-methylpiperidine;methanesulfonic acid (CID 175583536) is 2-butyl-1-methylpiperidine;methanesulfonic acid.
What is the SMILES notation for 2-butyl-1-methylpiperidine;methanesulfonic acid?
The canonical SMILES for 2-butyl-1-methylpiperidine;methanesulfonic acid is CCCCC1CCCCN1C.CS(=O)(=O)O.
What is the InChIKey of 2-butyl-1-methylpiperidine;methanesulfonic acid?
The InChIKey is LVYPUJGIRJUFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.CH4O3S/c1-3-4-7-10-8-5-6-9-11(10)2;1-5(2,3)4/h10H,3-9H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-butyl-1-methylpiperidine;methanesulfonic acid?
2-butyl-1-methylpiperidine;methanesulfonic acid has a molecular weight of 251.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpiperidine;methanesulfonic acid is sourced from PubChem (CID 175583536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).