2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol

C16H26N2O2 — CID 63634863

IUPAC2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-14(6-8-15)16(19)12-18-10-9-17(3)13(2)11-18/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyZCOLKUFOEMLRBT-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds5

About 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol

2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol (PubChem CID 63634863) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
PubChem CID63634863
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-20-15-7-5-14(6-8-15)16(19)12-18-10-9-17(3)13(2)11-18/h5-8,13,16,19H,4,9-12H2,1-3H3
InChIKeyZCOLKUFOEMLRBT-UHFFFAOYSA-N
XLogP1.75
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212
1-(4-ethoxyphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanol
CID 114596228
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
CID 30738286
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82216418
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol (CID 63634863) is 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(O)CN2CCN(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol?
The InChIKey is ZCOLKUFOEMLRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-7-5-14(6-8-15)16(19)12-18-10-9-17(3)13(2)11-18/h5-8,13,16,19H,4,9-12H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol?
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 63634863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).