2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol

C17H29N3O — CID 112539444

IUPAC2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCN(CC)c1ccc(C(CO)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)16-8-6-15(7-9-16)17(14-21)20-12-10-18(3)11-13-20/h6-9,17,21H,4-5,10-14H2,1-3H3
InChIKeyIZYXUAOPPZJYQC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.81
Rot. Bonds6

About 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol

2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 112539444) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID112539444
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
SMILESCCN(CC)c1ccc(C(CO)N2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)16-8-6-15(7-9-16)17(14-21)20-12-10-18(3)11-13-20/h6-9,17,21H,4-5,10-14H2,1-3H3
InChIKeyIZYXUAOPPZJYQC-UHFFFAOYSA-N
XLogP1.81
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(diethylamino)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171183486
2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860268
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854
N,N-diethyl-4-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171279375
N'-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N-ethyloxamide
CID 18583687
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-N,N-diethylaniline
CID 171279366
N,N-diethyl-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline
CID 171302840
N,N-diethyl-4-[(1S)-1-piperazin-1-ylhexyl]aniline
CID 171309273
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol (CID 112539444) is 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol is CCN(CC)c1ccc(C(CO)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is IZYXUAOPPZJYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19(5-2)16-8-6-15(7-9-16)17(14-21)20-12-10-18(3)11-13-20/h6-9,17,21H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol?
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 112539444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).