2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

C13H25ClN2O2 — CID 119999570

IUPAC2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCOCC(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-10-13(16)15-8-5-11(6-9-15)12-4-3-7-14-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyCVEMZJINIBDFRG-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.44
Rot. Bonds4

About 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride

2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119999570) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119999570
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
SMILESCCOCC(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-2-17-10-13(16)15-8-5-11(6-9-15)12-4-3-7-14-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyCVEMZJINIBDFRG-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999275
4,4,4-trifluoro-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119999728
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999346
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-(4-pyrrolidin-2-ylpiperidin-1-yl)pent-4-en-1-one
CID 63259498
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
(4-ethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999509

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride (CID 119999570) is 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is CCOCC(=O)N1CCC(C2CCCN2)CC1.Cl.
What is the InChIKey of 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is CVEMZJINIBDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-2-17-10-13(16)15-8-5-11(6-9-15)12-4-3-7-14-12;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride?
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119999570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).