3-pentylpiperidine;trifluoromethanesulfonic acid

C11H22F3NO3S — CID 175583355

IUPAC3-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCC1CCCNC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H21N.CHF3O3S/c1-2-3-4-6-10-7-5-8-11-9-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7)
InChIKeyNQMVNMPBKCRLJS-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.96
Rot. Bonds4

About 3-pentylpiperidine;trifluoromethanesulfonic acid

3-pentylpiperidine;trifluoromethanesulfonic acid (PubChem CID 175583355) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-pentylpiperidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name3-pentylpiperidine;trifluoromethanesulfonic acid
PubChem CID175583355
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name3-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCC1CCCNC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H21N.CHF3O3S/c1-2-3-4-6-10-7-5-8-11-9-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7)
InChIKeyNQMVNMPBKCRLJS-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-pentylpiperidine;trifluoromethanesulfonic acid?
The IUPAC name of 3-pentylpiperidine;trifluoromethanesulfonic acid (CID 175583355) is 3-pentylpiperidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 3-pentylpiperidine;trifluoromethanesulfonic acid?
The canonical SMILES for 3-pentylpiperidine;trifluoromethanesulfonic acid is CCCCCC1CCCNC1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 3-pentylpiperidine;trifluoromethanesulfonic acid?
The InChIKey is NQMVNMPBKCRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.CHF3O3S/c1-2-3-4-6-10-7-5-8-11-9-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7).
What are the key properties of 3-pentylpiperidine;trifluoromethanesulfonic acid?
3-pentylpiperidine;trifluoromethanesulfonic acid has a molecular weight of 305.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpiperidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 175583355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).