(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone

C16H24N2O3 — CID 107721232

IUPAC(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCN(C(=O)c2cc(O)ccc2O)CC1CC
InChIInChI=1S/C16H24N2O3/c1-3-11-10-18(8-7-14(11)17-4-2)16(21)13-9-12(19)5-6-15(13)20/h5-6,9,11,14,17,19-20H,3-4,7-8,10H2,1-2H3
InChIKeyZMQQHBIZPKIBSD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds4

About (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone (PubChem CID 107721232) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
PubChem CID107721232
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
SMILESCCNC1CCN(C(=O)c2cc(O)ccc2O)CC1CC
InChIInChI=1S/C16H24N2O3/c1-3-11-10-18(8-7-14(11)17-4-2)16(21)13-9-12(19)5-6-15(13)20/h5-6,9,11,14,17,19-20H,3-4,7-8,10H2,1-2H3
InChIKeyZMQQHBIZPKIBSD-UHFFFAOYSA-N
XLogP1.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842
(1,5-dimethylpyrazol-4-yl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 114506616
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809881
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
(4-bromo-2-hydroxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506286
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707
(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone (CID 107721232) is (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone is CCNC1CCN(C(=O)c2cc(O)ccc2O)CC1CC.
What is the InChIKey of (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone?
The InChIKey is ZMQQHBIZPKIBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11-10-18(8-7-14(11)17-4-2)16(21)13-9-12(19)5-6-15(13)20/h5-6,9,11,14,17,19-20H,3-4,7-8,10H2,1-2H3.
What are the key properties of (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107721232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).