(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone

C13H18N2O3 — CID 82265444

IUPAC(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1ccc(O)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-10-3-4-12(16)11(9-10)13(17)15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8H2,1H3
InChIKeyMKRDLUUSTORSAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.84
Rot. Bonds3

About (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone

(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone (PubChem CID 82265444) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
PubChem CID82265444
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1ccc(O)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-10-3-4-12(16)11(9-10)13(17)15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8H2,1H3
InChIKeyMKRDLUUSTORSAJ-UHFFFAOYSA-N
XLogP0.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde
CID 118198765
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862125
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
(4-ethoxyphenyl) 1,4-diazepane-1-carboxylate
CID 82303735
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone (CID 82265444) is (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone is CCOc1ccc(O)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is MKRDLUUSTORSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-10-3-4-12(16)11(9-10)13(17)15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8H2,1H3.
What are the key properties of (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone?
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 250.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82265444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).