[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

C15H22N2O2 — CID 107670477

IUPAC[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-16-12-6-8-17(9-7-12)15(19)14-5-4-13(18)10-11(14)2/h4-5,10,12,16,18H,3,6-9H2,1-2H3
InChIKeyPCOVMAAKAMDJLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

About [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107670477) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107670477
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCCNC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-16-12-6-8-17(9-7-12)15(19)14-5-4-13(18)10-11(14)2/h4-5,10,12,16,18H,3,6-9H2,1-2H3
InChIKeyPCOVMAAKAMDJLW-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-3-carboxamide
CID 103865451
(1,5-dimethylpyrazol-4-yl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 60818934
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 107670477) is [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is CCNC1CCN(C(=O)c2ccc(O)cc2C)CC1.
What is the InChIKey of [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is PCOVMAAKAMDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-12-6-8-17(9-7-12)15(19)14-5-4-13(18)10-11(14)2/h4-5,10,12,16,18H,3,6-9H2,1-2H3.
What are the key properties of [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107670477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).