2-ethoxy-4-(piperazin-1-ylmethyl)phenol

C13H20N2O2 — CID 54914762

IUPAC2-ethoxy-4-(piperazin-1-ylmethyl)phenol
SMILESCCOc1cc(CN2CCNCC2)ccc1O
InChIInChI=1S/C13H20N2O2/c1-2-17-13-9-11(3-4-12(13)16)10-15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8,10H2,1H3
InChIKeyUYGZHHBNTGCVCL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.20
Rot. Bonds4

About 2-ethoxy-4-(piperazin-1-ylmethyl)phenol

2-ethoxy-4-(piperazin-1-ylmethyl)phenol (PubChem CID 54914762) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethoxy-4-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(piperazin-1-ylmethyl)phenol
PubChem CID54914762
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethoxy-4-(piperazin-1-ylmethyl)phenol
SMILESCCOc1cc(CN2CCNCC2)ccc1O
InChIInChI=1S/C13H20N2O2/c1-2-17-13-9-11(3-4-12(13)16)10-15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8,10H2,1H3
InChIKeyUYGZHHBNTGCVCL-UHFFFAOYSA-N
XLogP1.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
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
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980462
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638
2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 2845450
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 141215819

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 2-ethoxy-4-(piperazin-1-ylmethyl)phenol (CID 54914762) is 2-ethoxy-4-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 2-ethoxy-4-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 2-ethoxy-4-(piperazin-1-ylmethyl)phenol is CCOc1cc(CN2CCNCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-(piperazin-1-ylmethyl)phenol?
The InChIKey is UYGZHHBNTGCVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-13-9-11(3-4-12(13)16)10-15-7-5-14-6-8-15/h3-4,9,14,16H,2,5-8,10H2,1H3.
What are the key properties of 2-ethoxy-4-(piperazin-1-ylmethyl)phenol?
2-ethoxy-4-(piperazin-1-ylmethyl)phenol has a molecular weight of 236.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 54914762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).