ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate

C11H21NO3 — CID 43365504

IUPACethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(CO)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)5-8-12-6-3-10(9-13)4-7-12/h10,13H,2-9H2,1H3
InChIKeyWDXVUCZPPVLDKE-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds5

About ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate

ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate (PubChem CID 43365504) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
PubChem CID43365504
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(CO)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)5-8-12-6-3-10(9-13)4-7-12/h10,13H,2-9H2,1H3
InChIKeyWDXVUCZPPVLDKE-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 110891559
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
ethyl 3-[4-(trifluoromethyl)piperazin-1-yl]propanoate
CID 174410956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate (CID 43365504) is ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate is CCOC(=O)CCN1CCC(CO)CC1.
What is the InChIKey of ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate?
The InChIKey is WDXVUCZPPVLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)5-8-12-6-3-10(9-13)4-7-12/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate?
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 43365504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).