1-dodecyl-2-methylpiperidine;methanesulfonic acid

C19H41NO3S — CID 175583651

IUPAC1-dodecyl-2-methylpiperidine;methanesulfonic acid
SMILESCCCCCCCCCCCCN1CCCCC1C.CS(=O)(=O)O
InChIInChI=1S/C18H37N.CH4O3S/c1-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)2;1-5(2,3)4/h18H,3-17H2,1-2H3;1H3,(H,2,3,4)
InChIKeyOCAQBCOARNBNJH-UHFFFAOYSA-N
MW363.61 g/mol
LogP5.29
Rot. Bonds11

About 1-dodecyl-2-methylpiperidine;methanesulfonic acid

1-dodecyl-2-methylpiperidine;methanesulfonic acid (PubChem CID 175583651) has the molecular formula C19H41NO3S and a molecular weight of 363.61 g/mol. Its IUPAC name is 1-dodecyl-2-methylpiperidine;methanesulfonic acid.

Molecular Properties

Compound Name1-dodecyl-2-methylpiperidine;methanesulfonic acid
PubChem CID175583651
Molecular FormulaC19H41NO3S
Molecular Weight363.61 g/mol
Exact Mass363.28
IUPAC Name1-dodecyl-2-methylpiperidine;methanesulfonic acid
SMILESCCCCCCCCCCCCN1CCCCC1C.CS(=O)(=O)O
InChIInChI=1S/C18H37N.CH4O3S/c1-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)2;1-5(2,3)4/h18H,3-17H2,1-2H3;1H3,(H,2,3,4)
InChIKeyOCAQBCOARNBNJH-UHFFFAOYSA-N
XLogP5.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methylpyrrolidine;methanesulfonic acid
CID 175584058
2-methyl-1-pentylazepane
CID 134994557
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-amino-1-(2-methylpiperidin-1-yl)nonadecan-4-one
CID 67873009
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-methylpiperidine;methanesulfonic acid?
The IUPAC name of 1-dodecyl-2-methylpiperidine;methanesulfonic acid (CID 175583651) is 1-dodecyl-2-methylpiperidine;methanesulfonic acid.
What is the SMILES notation for 1-dodecyl-2-methylpiperidine;methanesulfonic acid?
The canonical SMILES for 1-dodecyl-2-methylpiperidine;methanesulfonic acid is CCCCCCCCCCCCN1CCCCC1C.CS(=O)(=O)O.
What is the InChIKey of 1-dodecyl-2-methylpiperidine;methanesulfonic acid?
The InChIKey is OCAQBCOARNBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.CH4O3S/c1-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18(19)2;1-5(2,3)4/h18H,3-17H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 1-dodecyl-2-methylpiperidine;methanesulfonic acid?
1-dodecyl-2-methylpiperidine;methanesulfonic acid has a molecular weight of 363.61 g/mol, XLogP of 5.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-methylpiperidine;methanesulfonic acid is sourced from PubChem (CID 175583651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).