2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol

C18H30N2O3 — CID 83979306

IUPAC2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
SMILESCCCCOc1cc(C(CO)N2CCNCC2C)ccc1OC
InChIInChI=1S/C18H30N2O3/c1-4-5-10-23-18-11-15(6-7-17(18)22-3)16(13-21)20-9-8-19-12-14(20)2/h6-7,11,14,16,19,21H,4-5,8-10,12-13H2,1-3H3
InChIKeyGITQSYQQLDAALQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.20
Rot. Bonds8

About 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol

2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol (PubChem CID 83979306) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
PubChem CID83979306
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
SMILESCCCCOc1cc(C(CO)N2CCNCC2C)ccc1OC
InChIInChI=1S/C18H30N2O3/c1-4-5-10-23-18-11-15(6-7-17(18)22-3)16(13-21)20-9-8-19-12-14(20)2/h6-7,11,14,16,19,21H,4-5,8-10,12-13H2,1-3H3
InChIKeyGITQSYQQLDAALQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83979558
2-(2-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)ethanol
CID 83978662
2-(4-butoxy-3-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979609
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)ethanol
CID 83978231
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol (CID 83979306) is 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol is CCCCOc1cc(C(CO)N2CCNCC2C)ccc1OC.
What is the InChIKey of 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
The InChIKey is GITQSYQQLDAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-5-10-23-18-11-15(6-7-17(18)22-3)16(13-21)20-9-8-19-12-14(20)2/h6-7,11,14,16,19,21H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol?
2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol has a molecular weight of 322.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-4-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 83979306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).