[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol

C16H26N2O3 — CID 82885876

IUPAC[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
SMILESCCOc1cccc(CO)c1OCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O3/c1-3-20-15-6-4-5-14(13-19)16(15)21-12-11-18-9-7-17(2)8-10-18/h4-6,19H,3,7-13H2,1-2H3
InChIKeyFXFHAUDUONIYFE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.20
Rot. Bonds7

About [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol

[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol (PubChem CID 82885876) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
PubChem CID82885876
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
SMILESCCOc1cccc(CO)c1OCCN1CCN(C)CC1
InChIInChI=1S/C16H26N2O3/c1-3-20-15-6-4-5-14(13-19)16(15)21-12-11-18-9-7-17(2)8-10-18/h4-6,19H,3,7-13H2,1-2H3
InChIKeyFXFHAUDUONIYFE-UHFFFAOYSA-N
XLogP1.20
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
N-cyclopropyl-3-[2-ethoxy-6-(hydroxymethyl)phenoxy]propanamide
CID 62626670

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol?
The IUPAC name of [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol (CID 82885876) is [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol is CCOc1cccc(CO)c1OCCN1CCN(C)CC1.
What is the InChIKey of [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol?
The InChIKey is FXFHAUDUONIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-20-15-6-4-5-14(13-19)16(15)21-12-11-18-9-7-17(2)8-10-18/h4-6,19H,3,7-13H2,1-2H3.
What are the key properties of [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol?
[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 82885876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).