1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid

C19H38F3NO3S — CID 175874740

IUPAC1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCCCCCCN1CCCCC1CCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C18H37N.CHF3O3S/c1-3-5-6-7-8-9-10-12-16-19-17-13-11-15-18(19)14-4-2;2-1(3,4)8(5,6)7/h18H,3-17H2,1-2H3;(H,5,6,7)
InChIKeyGXPJXWLWHPQRTM-UHFFFAOYSA-N
MW417.58 g/mol
LogP6.18
Rot. Bonds11

About 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid

1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid (PubChem CID 175874740) has the molecular formula C19H38F3NO3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
PubChem CID175874740
Molecular FormulaC19H38F3NO3S
Molecular Weight417.58 g/mol
Exact Mass417.25
IUPAC Name1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCCCCCCN1CCCCC1CCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C18H37N.CHF3O3S/c1-3-5-6-7-8-9-10-12-16-19-17-13-11-15-18(19)14-4-2;2-1(3,4)8(5,6)7/h18H,3-17H2,1-2H3;(H,5,6,7)
InChIKeyGXPJXWLWHPQRTM-UHFFFAOYSA-N
XLogP6.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 56.18
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'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-hexylpyrrolidine;trifluoromethanesulfonic acid
CID 175583880
1,2-dibutylpyrrolidine;trifluoromethanesulfonic acid
CID 175849542
1-pentyl-2-propylpiperidine
CID 54429991
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
1-dodecyl-2-ethylpiperidine
CID 171569899

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid?
The IUPAC name of 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid (CID 175874740) is 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid?
The canonical SMILES for 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid is CCCCCCCCCCN1CCCCC1CCC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid?
The InChIKey is GXPJXWLWHPQRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.CHF3O3S/c1-3-5-6-7-8-9-10-12-16-19-17-13-11-15-18(19)14-4-2;2-1(3,4)8(5,6)7/h18H,3-17H2,1-2H3;(H,5,6,7).
What are the key properties of 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid?
1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid has a molecular weight of 417.58 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 175874740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).