piperidin-1-yl dodecanoate

C17H33NO2 — CID 56997420

IUPACpiperidin-1-yl dodecanoate
SMILESCCCCCCCCCCCC(=O)ON1CCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-11-14-17(19)20-18-15-12-10-13-16-18/h2-16H2,1H3
InChIKeyWPEATHOAJGLHKB-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.85
Rot. Bonds11

About piperidin-1-yl dodecanoate

piperidin-1-yl dodecanoate (PubChem CID 56997420) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is piperidin-1-yl dodecanoate.

Molecular Properties

Compound Namepiperidin-1-yl dodecanoate
PubChem CID56997420
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namepiperidin-1-yl dodecanoate
SMILESCCCCCCCCCCCC(=O)ON1CCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-11-14-17(19)20-18-15-12-10-13-16-18/h2-16H2,1H3
InChIKeyWPEATHOAJGLHKB-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl pyrrolidin-1-yl carbonate
CID 67660179
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
2-piperidin-1-ylethyl hexanoate
CID 59204070
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl dodecanoate?
The IUPAC name of piperidin-1-yl dodecanoate (CID 56997420) is piperidin-1-yl dodecanoate.
What is the SMILES notation for piperidin-1-yl dodecanoate?
The canonical SMILES for piperidin-1-yl dodecanoate is CCCCCCCCCCCC(=O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl dodecanoate?
The InChIKey is WPEATHOAJGLHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-9-11-14-17(19)20-18-15-12-10-13-16-18/h2-16H2,1H3.
What are the key properties of piperidin-1-yl dodecanoate?
piperidin-1-yl dodecanoate has a molecular weight of 283.46 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl dodecanoate is sourced from PubChem (CID 56997420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).