2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol

C16H26N2O2 — CID 114515122

IUPAC2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
SMILESCC(NCCC1CCN(C)CC1)c1cc(O)ccc1O
InChIInChI=1S/C16H26N2O2/c1-12(15-11-14(19)3-4-16(15)20)17-8-5-13-6-9-18(2)10-7-13/h3-4,11-13,17,19-20H,5-10H2,1-2H3
InChIKeyOUTYEZCOBANKHF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol

2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol (PubChem CID 114515122) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
PubChem CID114515122
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
SMILESCC(NCCC1CCN(C)CC1)c1cc(O)ccc1O
InChIInChI=1S/C16H26N2O2/c1-12(15-11-14(19)3-4-16(15)20)17-8-5-13-6-9-18(2)10-7-13/h3-4,11-13,17,19-20H,5-10H2,1-2H3
InChIKeyOUTYEZCOBANKHF-UHFFFAOYSA-N
XLogP2.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 104582302
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
CID 60971982
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
1-(5-methylfuran-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717489

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol (CID 114515122) is 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol is CC(NCCC1CCN(C)CC1)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol?
The InChIKey is OUTYEZCOBANKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(15-11-14(19)3-4-16(15)20)17-8-5-13-6-9-18(2)10-7-13/h3-4,11-13,17,19-20H,5-10H2,1-2H3.
What are the key properties of 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol?
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol has a molecular weight of 278.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 114515122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).