2-pentylpiperidine;trifluoromethanesulfonic acid

C11H22F3NO3S — CID 175583760

IUPAC2-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCC1CCCCN1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H21N.CHF3O3S/c1-2-3-4-7-10-8-5-6-9-11-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7)
InChIKeyJYQZGJGCQHEFEA-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.10
Rot. Bonds4

About 2-pentylpiperidine;trifluoromethanesulfonic acid

2-pentylpiperidine;trifluoromethanesulfonic acid (PubChem CID 175583760) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-pentylpiperidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name2-pentylpiperidine;trifluoromethanesulfonic acid
PubChem CID175583760
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name2-pentylpiperidine;trifluoromethanesulfonic acid
SMILESCCCCCC1CCCCN1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H21N.CHF3O3S/c1-2-3-4-7-10-8-5-6-9-11-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7)
InChIKeyJYQZGJGCQHEFEA-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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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Related Compounds

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CID 174952901
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
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(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
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2-(2-octadecoxyethyl)piperidine
CID 140997929
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CID 53408898
tricosane;trifluoromethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2-pentylpiperidine;trifluoromethanesulfonic acid?
The IUPAC name of 2-pentylpiperidine;trifluoromethanesulfonic acid (CID 175583760) is 2-pentylpiperidine;trifluoromethanesulfonic acid.
What is the SMILES notation for 2-pentylpiperidine;trifluoromethanesulfonic acid?
The canonical SMILES for 2-pentylpiperidine;trifluoromethanesulfonic acid is CCCCCC1CCCCN1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 2-pentylpiperidine;trifluoromethanesulfonic acid?
The InChIKey is JYQZGJGCQHEFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.CHF3O3S/c1-2-3-4-7-10-8-5-6-9-11-10;2-1(3,4)8(5,6)7/h10-11H,2-9H2,1H3;(H,5,6,7).
What are the key properties of 2-pentylpiperidine;trifluoromethanesulfonic acid?
2-pentylpiperidine;trifluoromethanesulfonic acid has a molecular weight of 305.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpiperidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 175583760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).