[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C17H26N2O2 — CID 107228727

IUPAC[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C17H26N2O2/c1-3-18-16-7-6-13(2)11-15(16)17(21)19-9-4-5-14(12-19)8-10-20/h6-7,11,14,18,20H,3-5,8-10,12H2,1-2H3
InChIKeyIKRUOHPAMZEZKH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds5

About [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107228727) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107228727
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C17H26N2O2/c1-3-18-16-7-6-13(2)11-15(16)17(21)19-9-4-5-14(12-19)8-10-20/h6-7,11,14,18,20H,3-5,8-10,12H2,1-2H3
InChIKeyIKRUOHPAMZEZKH-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[3-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65463040
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107228727) is [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is CCNc1ccc(C)cc1C(=O)N1CCCC(CCO)C1.
What is the InChIKey of [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is IKRUOHPAMZEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18-16-7-6-13(2)11-15(16)17(21)19-9-4-5-14(12-19)8-10-20/h6-7,11,14,18,20H,3-5,8-10,12H2,1-2H3.
What are the key properties of [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107228727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).