(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

C15H22N2O3 — CID 79726610

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(O)c2)CC1C
InChIInChI=1S/C15H22N2O3/c1-4-16-7-8-17(10-11(16)2)15(19)12-5-6-14(20-3)13(18)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyVPZCBTMLEHKMDB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds3

About (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 79726610) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID79726610
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(O)c2)CC1C
InChIInChI=1S/C15H22N2O3/c1-4-16-7-8-17(10-11(16)2)15(19)12-5-6-14(20-3)13(18)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3
InChIKeyVPZCBTMLEHKMDB-UHFFFAOYSA-N
XLogP1.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 114500880
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
[4-(2-chloroethyl)piperazin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 79732443
3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile
CID 63621797
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (CID 79726610) is (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is CCN1CCN(C(=O)c2ccc(OC)c(O)c2)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is VPZCBTMLEHKMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-7-8-17(10-11(16)2)15(19)12-5-6-14(20-3)13(18)9-12/h5-6,9,11,18H,4,7-8,10H2,1-3H3.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
(4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 79726610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).