2-piperidin-1-ylethyl heptadecanoate

C24H47NO2 — CID 118631056

IUPAC2-piperidin-1-ylethyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)OCCN1CCCCC1
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24(26)27-23-22-25-20-17-15-18-21-25/h2-23H2,1H3
InChIKeySSKFVNDHDUDVFN-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.89
Rot. Bonds18

About 2-piperidin-1-ylethyl heptadecanoate

2-piperidin-1-ylethyl heptadecanoate (PubChem CID 118631056) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl heptadecanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl heptadecanoate
PubChem CID118631056
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name2-piperidin-1-ylethyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)OCCN1CCCCC1
InChIInChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24(26)27-23-22-25-20-17-15-18-21-25/h2-23H2,1H3
InChIKeySSKFVNDHDUDVFN-UHFFFAOYSA-N
XLogP6.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperidin-1-ylethyl heptadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl (Z)-octadec-9-enoate
CID 90811222
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
2-morpholin-4-ylethyl octanoate
CID 23118480
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-[4-methyl-4-(2-octadecanoyloxyethyl)piperazin-4-ium-1-yl]ethyl octadecanoate
CID 21117794
pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
CID 170534095
bis(4-butyldecyl) 10-(4-piperidin-1-ylbutoxy)nonadecanedioate
CID 118403633
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl octadec-9-enoate
CID 76740441
[(6-oxo-6-undecoxyhexyl)-(3-pyrrolidin-1-ylpropanoyl)amino] octanoate
CID 176630173
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl heptadecanoate?
The IUPAC name of 2-piperidin-1-ylethyl heptadecanoate (CID 118631056) is 2-piperidin-1-ylethyl heptadecanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl heptadecanoate?
The canonical SMILES for 2-piperidin-1-ylethyl heptadecanoate is CCCCCCCCCCCCCCCCC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl heptadecanoate?
The InChIKey is SSKFVNDHDUDVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24(26)27-23-22-25-20-17-15-18-21-25/h2-23H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl heptadecanoate?
2-piperidin-1-ylethyl heptadecanoate has a molecular weight of 381.65 g/mol, XLogP of 6.89, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl heptadecanoate is sourced from PubChem (CID 118631056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).