2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol

C16H26N2O2 — CID 82980462

IUPAC2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
SMILESCCOc1cc(CN2CCN(CC)C(C)C2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-4-18-9-8-17(11-13(18)3)12-14-6-7-15(19)16(10-14)20-5-2/h6-7,10,13,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyMQQXPOGUKBWYCP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds5

About 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol

2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol (PubChem CID 82980462) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
PubChem CID82980462
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
SMILESCCOc1cc(CN2CCN(CC)C(C)C2)ccc1O
InChIInChI=1S/C16H26N2O2/c1-4-18-9-8-17(11-13(18)3)12-14-6-7-15(19)16(10-14)20-5-2/h6-7,10,13,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyMQQXPOGUKBWYCP-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methoxyphenyl]boronic acid
CID 63635021
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-ethoxyphenol
CID 1377058
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
CID 82979964
4-bromo-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980898
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol (CID 82980462) is 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol is CCOc1cc(CN2CCN(CC)C(C)C2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is MQQXPOGUKBWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18-9-8-17(11-13(18)3)12-14-6-7-15(19)16(10-14)20-5-2/h6-7,10,13,19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol?
2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 82980462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).