1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone

C16H25N3O2 — CID 79590209

IUPAC1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
SMILESCCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1O
InChIInChI=1S/C16H25N3O2/c1-4-17-12(2)15-6-5-14(11-16(15)21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12,17,21H,4,7-10H2,1-3H3
InChIKeyQNXPDRQEHUFGPK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone (PubChem CID 79590209) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
PubChem CID79590209
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
SMILESCCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1O
InChIInChI=1S/C16H25N3O2/c1-4-17-12(2)15-6-5-14(11-16(15)21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12,17,21H,4,7-10H2,1-3H3
InChIKeyQNXPDRQEHUFGPK-UHFFFAOYSA-N
XLogP1.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
CID 79590215
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
1-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]-4-methylazepan-4-ol
CID 107404966
5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
5-(4-methyl-1,4-diazepan-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79590219
2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
CID 114410444
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
CID 81204822
2-[1-(ethylamino)ethyl]-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102883981
1-[4-[2-chloro-4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 62907806
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone (CID 79590209) is 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone is CCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1O.
What is the InChIKey of 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is QNXPDRQEHUFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-12(2)15-6-5-14(11-16(15)21)19-9-7-18(8-10-19)13(3)20/h5-6,11-12,17,21H,4,7-10H2,1-3H3.
What are the key properties of 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 79590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).