2-(1-heptylpiperidin-1-ium-1-yl)ethanol

C14H30NO+ — CID 21152839

IUPAC2-(1-heptylpiperidin-1-ium-1-yl)ethanol
SMILESCCCCCCC[N+]1(CCO)CCCCC1
InChIInChI=1S/C14H30NO/c1-2-3-4-5-7-10-15(13-14-16)11-8-6-9-12-15/h16H,2-14H2,1H3/q+1
InChIKeyQFBVNEJXVGQMHP-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.95
Rot. Bonds8

About 2-(1-heptylpiperidin-1-ium-1-yl)ethanol

2-(1-heptylpiperidin-1-ium-1-yl)ethanol (PubChem CID 21152839) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-(1-heptylpiperidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-heptylpiperidin-1-ium-1-yl)ethanol
PubChem CID21152839
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name2-(1-heptylpiperidin-1-ium-1-yl)ethanol
SMILESCCCCCCC[N+]1(CCO)CCCCC1
InChIInChI=1S/C14H30NO/c1-2-3-4-5-7-10-15(13-14-16)11-8-6-9-12-15/h16H,2-14H2,1H3/q+1
InChIKeyQFBVNEJXVGQMHP-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-hexadecylpyrrolidin-1-ium-1-yl)ethanol
CID 134818001
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1,1-dioctylpiperidin-1-ium
CID 23148538
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-decyl-1-propylpiperidin-1-ium
CID 171570313

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptylpiperidin-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-heptylpiperidin-1-ium-1-yl)ethanol (CID 21152839) is 2-(1-heptylpiperidin-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-heptylpiperidin-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-heptylpiperidin-1-ium-1-yl)ethanol is CCCCCCC[N+]1(CCO)CCCCC1.
What is the InChIKey of 2-(1-heptylpiperidin-1-ium-1-yl)ethanol?
The InChIKey is QFBVNEJXVGQMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO/c1-2-3-4-5-7-10-15(13-14-16)11-8-6-9-12-15/h16H,2-14H2,1H3/q+1.
What are the key properties of 2-(1-heptylpiperidin-1-ium-1-yl)ethanol?
2-(1-heptylpiperidin-1-ium-1-yl)ethanol has a molecular weight of 228.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylpiperidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 21152839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).