2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol

C17H29N3O — CID 143655087

IUPAC2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
SMILESCCN(C)Cc1cc(N2CCN(CCO)CC2)ccc1C
InChIInChI=1S/C17H29N3O/c1-4-18(3)14-16-13-17(6-5-15(16)2)20-9-7-19(8-10-20)11-12-21/h5-6,13,21H,4,7-12,14H2,1-3H3
InChIKeyYZZFEUFNCFNCJN-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.56
Rot. Bonds6

About 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol

2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol (PubChem CID 143655087) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
PubChem CID143655087
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
SMILESCCN(C)Cc1cc(N2CCN(CCO)CC2)ccc1C
InChIInChI=1S/C17H29N3O/c1-4-18(3)14-16-13-17(6-5-15(16)2)20-9-7-19(8-10-20)11-12-21/h5-6,13,21H,4,7-12,14H2,1-3H3
InChIKeyYZZFEUFNCFNCJN-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol (CID 143655087) is 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol is CCN(C)Cc1cc(N2CCN(CCO)CC2)ccc1C.
What is the InChIKey of 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol?
The InChIKey is YZZFEUFNCFNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18(3)14-16-13-17(6-5-15(16)2)20-9-7-19(8-10-20)11-12-21/h5-6,13,21H,4,7-12,14H2,1-3H3.
What are the key properties of 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol?
2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 143655087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).