2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

C18H29ClN2O2 — CID 119644444

IUPAC2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C(OCC)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-19-14-15-10-12-20(13-11-15)18(21)17(22-4-2)16-8-6-5-7-9-16;/h5-9,15,17,19H,3-4,10-14H2,1-2H3;1H
InChIKeyOKHBXMWDMYHMIP-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.03
Rot. Bonds7

About 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (PubChem CID 119644444) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
PubChem CID119644444
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C(OCC)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-3-19-14-15-10-12-20(13-11-15)18(21)17(22-4-2)16-8-6-5-7-9-16;/h5-9,15,17,19H,3-4,10-14H2,1-2H3;1H
InChIKeyOKHBXMWDMYHMIP-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119647225
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119646747
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 95582733
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119648473
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 109380455

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride (CID 119644444) is 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is CCNCC1CCN(C(=O)C(OCC)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
The InChIKey is OKHBXMWDMYHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-3-19-14-15-10-12-20(13-11-15)18(21)17(22-4-2)16-8-6-5-7-9-16;/h5-9,15,17,19H,3-4,10-14H2,1-2H3;1H.
What are the key properties of 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride?
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119644444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).