piperidin-2-yl octadecanoate

C23H45NO2 — CID 54524837

IUPACpiperidin-2-yl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CCCCN1
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(25)26-22-19-17-18-21-24-22/h22,24H,2-21H2,1H3
InChIKeyUVTVLIATEXMGCM-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.89
Rot. Bonds17

About piperidin-2-yl octadecanoate

piperidin-2-yl octadecanoate (PubChem CID 54524837) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is piperidin-2-yl octadecanoate.

Molecular Properties

Compound Namepiperidin-2-yl octadecanoate
PubChem CID54524837
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC Namepiperidin-2-yl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CCCCN1
InChIInChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(25)26-22-19-17-18-21-24-22/h22,24H,2-21H2,1H3
InChIKeyUVTVLIATEXMGCM-UHFFFAOYSA-N
XLogP6.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-pyrrolidin-2-yl] butanoate
CID 45090959
[(2S)-pyrrolidin-2-yl] butanoate
CID 45090958
cyclobutyl pentadecanoate
CID 46229794
cyclopropyl decanoate
CID 154321154
butyl piperidin-2-yl carbonate
CID 54057815
nonan-2-yl piperidin-2-yl carbonate
CID 54506928
decanoyl (2S)-pyrrolidine-2-carboxylate
CID 89052284
tetradecanoyl (2R)-pyrrolidine-2-carboxylate
CID 90102805
hexyl pyrrolidin-2-yl carbonate
CID 54505278
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
[(1R,2R)-2-hydroxycyclohexyl] decanoate
CID 122221487

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl octadecanoate?
The IUPAC name of piperidin-2-yl octadecanoate (CID 54524837) is piperidin-2-yl octadecanoate.
What is the SMILES notation for piperidin-2-yl octadecanoate?
The canonical SMILES for piperidin-2-yl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CCCCN1.
What is the InChIKey of piperidin-2-yl octadecanoate?
The InChIKey is UVTVLIATEXMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(25)26-22-19-17-18-21-24-22/h22,24H,2-21H2,1H3.
What are the key properties of piperidin-2-yl octadecanoate?
piperidin-2-yl octadecanoate has a molecular weight of 367.62 g/mol, XLogP of 6.89, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl octadecanoate is sourced from PubChem (CID 54524837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).