1-decylpiperidine;methanesulfonic acid

C16H35NO3S — CID 175874627

IUPAC1-decylpiperidine;methanesulfonic acid
SMILESCCCCCCCCCCN1CCCCC1.CS(=O)(=O)O
InChIInChI=1S/C15H31N.CH4O3S/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;1-5(2,3)4/h2-15H2,1H3;1H3,(H,2,3,4)
InChIKeyGXVRPULDBFPHNO-UHFFFAOYSA-N
MW321.53 g/mol
LogP4.12
Rot. Bonds9

About 1-decylpiperidine;methanesulfonic acid

1-decylpiperidine;methanesulfonic acid (PubChem CID 175874627) has the molecular formula C16H35NO3S and a molecular weight of 321.53 g/mol. Its IUPAC name is 1-decylpiperidine;methanesulfonic acid.

Molecular Properties

Compound Name1-decylpiperidine;methanesulfonic acid
PubChem CID175874627
Molecular FormulaC16H35NO3S
Molecular Weight321.53 g/mol
Exact Mass321.23
IUPAC Name1-decylpiperidine;methanesulfonic acid
SMILESCCCCCCCCCCN1CCCCC1.CS(=O)(=O)O
InChIInChI=1S/C15H31N.CH4O3S/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;1-5(2,3)4/h2-15H2,1H3;1H3,(H,2,3,4)
InChIKeyGXVRPULDBFPHNO-UHFFFAOYSA-N
XLogP4.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 54.12
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

methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
CID 162323144
CID 162323144
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
acetic acid;1-nonylpiperidine
CID 175874764
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
1-tetradecylpiperidine;hydrochloride
CID 71325293
ethane;1-nonylpiperidine
CID 177011009

Frequently Asked Questions

What is the IUPAC name of 1-decylpiperidine;methanesulfonic acid?
The IUPAC name of 1-decylpiperidine;methanesulfonic acid (CID 175874627) is 1-decylpiperidine;methanesulfonic acid.
What is the SMILES notation for 1-decylpiperidine;methanesulfonic acid?
The canonical SMILES for 1-decylpiperidine;methanesulfonic acid is CCCCCCCCCCN1CCCCC1.CS(=O)(=O)O.
What is the InChIKey of 1-decylpiperidine;methanesulfonic acid?
The InChIKey is GXVRPULDBFPHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.CH4O3S/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;1-5(2,3)4/h2-15H2,1H3;1H3,(H,2,3,4).
What are the key properties of 1-decylpiperidine;methanesulfonic acid?
1-decylpiperidine;methanesulfonic acid has a molecular weight of 321.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpiperidine;methanesulfonic acid is sourced from PubChem (CID 175874627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).