2-piperidin-1-ylethyl hexanoate

C13H25NO2 — CID 59204070

IUPAC2-piperidin-1-ylethyl hexanoate
SMILESCCCCCC(=O)OCCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-5-8-13(15)16-12-11-14-9-6-4-7-10-14/h2-12H2,1H3
InChIKeyZRTKPZKISPGPLY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.60
Rot. Bonds7

About 2-piperidin-1-ylethyl hexanoate

2-piperidin-1-ylethyl hexanoate (PubChem CID 59204070) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl hexanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl hexanoate
PubChem CID59204070
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-piperidin-1-ylethyl hexanoate
SMILESCCCCCC(=O)OCCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-3-5-8-13(15)16-12-11-14-9-6-4-7-10-14/h2-12H2,1H3
InChIKeyZRTKPZKISPGPLY-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.60
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 (Z)-octadec-9-enoate
CID 90811222
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-morpholin-4-ylethyl octanoate
CID 23118480
pentyl 3-(2-piperidin-1-ylethylsulfanyl)propanoate
CID 170534095
2-[4-methyl-4-(2-octadecanoyloxyethyl)piperazin-4-ium-1-yl]ethyl octadecanoate
CID 21117794
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
bis(4-butyldecyl) 10-(4-piperidin-1-ylbutoxy)nonadecanedioate
CID 118403633
[(6-oxo-6-undecoxyhexyl)-(3-pyrrolidin-1-ylpropanoyl)amino] octanoate
CID 176630173
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl octadec-9-enoate
CID 76740441

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl hexanoate?
The IUPAC name of 2-piperidin-1-ylethyl hexanoate (CID 59204070) is 2-piperidin-1-ylethyl hexanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl hexanoate?
The canonical SMILES for 2-piperidin-1-ylethyl hexanoate is CCCCCC(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl hexanoate?
The InChIKey is ZRTKPZKISPGPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-3-5-8-13(15)16-12-11-14-9-6-4-7-10-14/h2-12H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl hexanoate?
2-piperidin-1-ylethyl hexanoate has a molecular weight of 227.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl hexanoate is sourced from PubChem (CID 59204070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).