5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol

C13H28NO+ — CID 155168800

IUPAC5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol
SMILESCCC[N+]1(CCCCCO)CCCCC1
InChIInChI=1S/C13H28NO/c1-2-9-14(10-5-3-6-11-14)12-7-4-8-13-15/h15H,2-13H2,1H3/q+1
InChIKeyAYQUKNNEGCTUIP-UHFFFAOYSA-N
MW214.37 g/mol
LogP2.56
Rot. Bonds7

About 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol

5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol (PubChem CID 155168800) has the molecular formula C13H28NO+ and a molecular weight of 214.37 g/mol. Its IUPAC name is 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol
PubChem CID155168800
Molecular FormulaC13H28NO+
Molecular Weight214.37 g/mol
Exact Mass214.22
IUPAC Name5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol
SMILESCCC[N+]1(CCCCCO)CCCCC1
InChIInChI=1S/C13H28NO/c1-2-9-14(10-5-3-6-11-14)12-7-4-8-13-15/h15H,2-13H2,1H3/q+1
InChIKeyAYQUKNNEGCTUIP-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 52.56
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

1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-decyl-1-propylpiperidin-1-ium
CID 171570313
2-(1-heptylpiperidin-1-ium-1-yl)ethanol
CID 21152839
1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349
2-(1-hexadecylpyrrolidin-1-ium-1-yl)ethanol
CID 134818001
1-nonyl-1-propylpyrrolidin-1-ium fluoride
CID 171570761
1,1-dioctylpiperidin-1-ium
CID 23148538
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872

Frequently Asked Questions

What is the IUPAC name of 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol?
The IUPAC name of 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol (CID 155168800) is 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol?
The canonical SMILES for 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol is CCC[N+]1(CCCCCO)CCCCC1.
What is the InChIKey of 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol?
The InChIKey is AYQUKNNEGCTUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO/c1-2-9-14(10-5-3-6-11-14)12-7-4-8-13-15/h15H,2-13H2,1H3/q+1.
What are the key properties of 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol?
5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol has a molecular weight of 214.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol is sourced from PubChem (CID 155168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).