dodecyl 3-piperidin-1-ylpropanoate

C20H39NO2 — CID 91554899

IUPACdodecyl 3-piperidin-1-ylpropanoate
SMILESCCCCCCCCCCCCOC(=O)CCN1CCCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-14-19-23-20(22)15-18-21-16-12-11-13-17-21/h2-19H2,1H3
InChIKeyHDBMMYRQVJTUPF-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.33
Rot. Bonds14

About dodecyl 3-piperidin-1-ylpropanoate

dodecyl 3-piperidin-1-ylpropanoate (PubChem CID 91554899) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is dodecyl 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namedodecyl 3-piperidin-1-ylpropanoate
PubChem CID91554899
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Namedodecyl 3-piperidin-1-ylpropanoate
SMILESCCCCCCCCCCCCOC(=O)CCN1CCCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-14-19-23-20(22)15-18-21-16-12-11-13-17-21/h2-19H2,1H3
InChIKeyHDBMMYRQVJTUPF-UHFFFAOYSA-N
XLogP5.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.33
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

2-piperidin-1-ylethyl heptadecanoate
CID 118631056
2-piperidin-1-ylethyl hexanoate
CID 59204070
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
CID 170534095
butyl 3-(aziridin-1-yl)propanoate;methane
CID 160985577
4-dodecoxybutyl 3-[[3-(4-dodecoxybutoxy)-3-oxopropyl]-(2-pyrrolidin-1-ylethyl)amino]propanoate;ethane
CID 169182854
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222
[(6-oxo-6-undecoxyhexyl)-(3-pyrrolidin-1-ylpropanoyl)amino] octanoate
CID 176630173
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 90259776
bis(4-butyldecyl) 10-(4-piperidin-1-ylbutoxy)nonadecanedioate
CID 118403633
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-piperidin-1-ylpropanoate?
The IUPAC name of dodecyl 3-piperidin-1-ylpropanoate (CID 91554899) is dodecyl 3-piperidin-1-ylpropanoate.
What is the SMILES notation for dodecyl 3-piperidin-1-ylpropanoate?
The canonical SMILES for dodecyl 3-piperidin-1-ylpropanoate is CCCCCCCCCCCCOC(=O)CCN1CCCCC1.
What is the InChIKey of dodecyl 3-piperidin-1-ylpropanoate?
The InChIKey is HDBMMYRQVJTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-14-19-23-20(22)15-18-21-16-12-11-13-17-21/h2-19H2,1H3.
What are the key properties of dodecyl 3-piperidin-1-ylpropanoate?
dodecyl 3-piperidin-1-ylpropanoate has a molecular weight of 325.54 g/mol, XLogP of 5.33, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 91554899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).