ethyl 4-piperidin-1-ylpentanoate

C12H23NO2 — CID 67188448

IUPACethyl 4-piperidin-1-ylpentanoate
SMILESCCOC(=O)CCC(C)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)8-7-11(2)13-9-5-4-6-10-13/h11H,3-10H2,1-2H3
InChIKeyIMSGXOZDNHPUAS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 4-piperidin-1-ylpentanoate

ethyl 4-piperidin-1-ylpentanoate (PubChem CID 67188448) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ylpentanoate
PubChem CID67188448
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 4-piperidin-1-ylpentanoate
SMILESCCOC(=O)CCC(C)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)8-7-11(2)13-9-5-4-6-10-13/h11H,3-10H2,1-2H3
InChIKeyIMSGXOZDNHPUAS-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(azepan-1-yl)hexanoate
CID 64528200
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
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ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
CID 7060753
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
ethyl 3-(azepan-1-yl)-3-cyclopropylpropanoate
CID 64528013
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ylpentanoate?
The IUPAC name of ethyl 4-piperidin-1-ylpentanoate (CID 67188448) is ethyl 4-piperidin-1-ylpentanoate.
What is the SMILES notation for ethyl 4-piperidin-1-ylpentanoate?
The canonical SMILES for ethyl 4-piperidin-1-ylpentanoate is CCOC(=O)CCC(C)N1CCCCC1.
What is the InChIKey of ethyl 4-piperidin-1-ylpentanoate?
The InChIKey is IMSGXOZDNHPUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-12(14)8-7-11(2)13-9-5-4-6-10-13/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 4-piperidin-1-ylpentanoate?
ethyl 4-piperidin-1-ylpentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ylpentanoate is sourced from PubChem (CID 67188448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).