ethyl 2-(4-propylpiperidin-1-yl)acetate

C12H23NO2 — CID 54019773

IUPACethyl 2-(4-propylpiperidin-1-yl)acetate
SMILESCCCC1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C12H23NO2/c1-3-5-11-6-8-13(9-7-11)10-12(14)15-4-2/h11H,3-10H2,1-2H3
InChIKeyKYCXPQUTJLETDO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

About ethyl 2-(4-propylpiperidin-1-yl)acetate

ethyl 2-(4-propylpiperidin-1-yl)acetate (PubChem CID 54019773) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(4-propylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-propylpiperidin-1-yl)acetate
PubChem CID54019773
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(4-propylpiperidin-1-yl)acetate
SMILESCCCC1CCN(CC(=O)OCC)CC1
InChIInChI=1S/C12H23NO2/c1-3-5-11-6-8-13(9-7-11)10-12(14)15-4-2/h11H,3-10H2,1-2H3
InChIKeyKYCXPQUTJLETDO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
ethyl 2-(4-cyclohexylpiperidin-1-yl)acetate
CID 142887081
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
ethyl 2-(azocan-1-yl)acetate
CID 25219274
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
ethyl 4-[4-(acetamidomethyl)piperidin-1-yl]-3-oxobutanoate
CID 102736665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-propylpiperidin-1-yl)acetate (CID 54019773) is ethyl 2-(4-propylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-propylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-propylpiperidin-1-yl)acetate is CCCC1CCN(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(4-propylpiperidin-1-yl)acetate?
The InChIKey is KYCXPQUTJLETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-11-6-8-13(9-7-11)10-12(14)15-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-(4-propylpiperidin-1-yl)acetate?
ethyl 2-(4-propylpiperidin-1-yl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propylpiperidin-1-yl)acetate is sourced from PubChem (CID 54019773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).