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

C15H22N2O2 — CID 82827096

IUPAC[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCCNC1CCCN(C(=O)c2cccc(O)c2C)C1
InChIInChI=1S/C15H22N2O2/c1-3-16-12-6-5-9-17(10-12)15(19)13-7-4-8-14(18)11(13)2/h4,7-8,12,16,18H,3,5-6,9-10H2,1-2H3
InChIKeyGALXQVUVRJXLDE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds3

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

[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82827096) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82827096
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCCNC1CCCN(C(=O)c2cccc(O)c2C)C1
InChIInChI=1S/C15H22N2O2/c1-3-16-12-6-5-9-17(10-12)15(19)13-7-4-8-14(18)11(13)2/h4,7-8,12,16,18H,3,5-6,9-10H2,1-2H3
InChIKeyGALXQVUVRJXLDE-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

[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
(3,6-dimethylpyridazin-4-yl)-[3-(ethylamino)piperidin-1-yl]methanone
CID 104668832
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 82827096) is [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is CCNC1CCCN(C(=O)c2cccc(O)c2C)C1.
What is the InChIKey of [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is GALXQVUVRJXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-16-12-6-5-9-17(10-12)15(19)13-7-4-8-14(18)11(13)2/h4,7-8,12,16,18H,3,5-6,9-10H2,1-2H3.
What are the key properties of [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[3-(ethylamino)piperidin-1-yl]-(3-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 [3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82827096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).