3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid

C15H30F3NO3S — CID 175874954

IUPAC3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCN1CCCC(CCCC)C1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H29N.CHF3O3S/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;2-1(3,4)8(5,6)7/h14H,3-13H2,1-2H3;(H,5,6,7)
InChIKeyDYTTUWGYADCHOO-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.47
Rot. Bonds7

About 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid

3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid (PubChem CID 175874954) has the molecular formula C15H30F3NO3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
PubChem CID175874954
Molecular FormulaC15H30F3NO3S
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Name3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCN1CCCC(CCCC)C1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H29N.CHF3O3S/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;2-1(3,4)8(5,6)7/h14H,3-13H2,1-2H3;(H,5,6,7)
InChIKeyDYTTUWGYADCHOO-UHFFFAOYSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.47
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

3-butyl-1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 175584167
3-butyl-1-dodecylpiperidine
CID 171569666
3-butyl-1-decylpiperidine;hydrochloride
CID 175874858
3-ethyl-1-octylpyrrolidine;1-octyl-3-propylpyrrolidine;bis(trifluoromethanesulfonic acid)
CID 175583602
3-butyl-1-pentylpiperidine;formonitrile
CID 175874905
1,3-di(tridecyl)piperidine
CID 162511834
3-ethyl-1-heptylpyrrolidine;trifluoromethanesulfonic acid
CID 175849480
1-hexyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 175874968
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715
3-butyl-1-hexylpyrrolidine
CID 171570679

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid?
The IUPAC name of 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid (CID 175874954) is 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid?
The canonical SMILES for 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid is CCCCCN1CCCC(CCCC)C1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid?
The InChIKey is DYTTUWGYADCHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.CHF3O3S/c1-3-5-7-11-15-12-8-10-14(13-15)9-6-4-2;2-1(3,4)8(5,6)7/h14H,3-13H2,1-2H3;(H,5,6,7).
What are the key properties of 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid?
3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid has a molecular weight of 361.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-pentylpiperidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 175874954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).