11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol

C17H36NO+ — CID 4546867

IUPAC11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol
SMILESC[N+]1(CCCCCCCCCCCO)CCCCC1
InChIInChI=1S/C17H36NO/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19/h19H,2-17H2,1H3/q+1
InChIKeyZWTALPJZBUJLCL-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.12
Rot. Bonds11

About 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol

11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol (PubChem CID 4546867) has the molecular formula C17H36NO+ and a molecular weight of 270.48 g/mol. Its IUPAC name is 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol.

Molecular Properties

Compound Name11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol
PubChem CID4546867
Molecular FormulaC17H36NO+
Molecular Weight270.48 g/mol
Exact Mass270.28
IUPAC Name11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol
SMILESC[N+]1(CCCCCCCCCCCO)CCCCC1
InChIInChI=1S/C17H36NO/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19/h19H,2-17H2,1H3/q+1
InChIKeyZWTALPJZBUJLCL-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol?
The IUPAC name of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol (CID 4546867) is 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol.
What is the SMILES notation for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol?
The canonical SMILES for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol is C[N+]1(CCCCCCCCCCCO)CCCCC1.
What is the InChIKey of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol?
The InChIKey is ZWTALPJZBUJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36NO/c1-18(15-11-9-12-16-18)14-10-7-5-3-2-4-6-8-13-17-19/h19H,2-17H2,1H3/q+1.
What are the key properties of 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol?
11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol has a molecular weight of 270.48 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-methylpiperidin-1-ium-1-yl)undecan-1-ol is sourced from PubChem (CID 4546867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).