2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone

C16H24N2O3 — CID 115900760

IUPAC2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
SMILESCOc1ccc(O)c(C(C)NCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(14-10-13(21-2)6-7-15(14)19)17-11-16(20)18-8-4-3-5-9-18/h6-7,10,12,17,19H,3-5,8-9,11H2,1-2H3
InChIKeyPBVPUOLPSQXXHM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.06
Rot. Bonds5

About 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone

2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone (PubChem CID 115900760) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
PubChem CID115900760
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
SMILESCOc1ccc(O)c(C(C)NCC(=O)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(14-10-13(21-2)6-7-15(14)19)17-11-16(20)18-8-4-3-5-9-18/h6-7,10,12,17,19H,3-5,8-9,11H2,1-2H3
InChIKeyPBVPUOLPSQXXHM-UHFFFAOYSA-N
XLogP2.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442206
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone (CID 115900760) is 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone is COc1ccc(O)c(C(C)NCC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone?
The InChIKey is PBVPUOLPSQXXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(14-10-13(21-2)6-7-15(14)19)17-11-16(20)18-8-4-3-5-9-18/h6-7,10,12,17,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone?
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115900760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).