2-ethoxy-6-[(2S)-piperazin-2-yl]phenol

C12H18N2O2 — CID 171194105

IUPAC2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
SMILESCCOc1cccc([C@H]2CNCCN2)c1O
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)10-8-13-6-7-14-10/h3-5,10,13-15H,2,6-8H2,1H3/t10-/m1/s1
InChIKeyLLVJZOFTIKTTFK-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds3

About 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol

2-ethoxy-6-[(2S)-piperazin-2-yl]phenol (PubChem CID 171194105) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
PubChem CID171194105
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
SMILESCCOc1cccc([C@H]2CNCCN2)c1O
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)10-8-13-6-7-14-10/h3-5,10,13-15H,2,6-8H2,1H3/t10-/m1/s1
InChIKeyLLVJZOFTIKTTFK-SNVBAGLBSA-N
XLogP1.02
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2-[(2R)-piperazin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259694
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
2-(2-ethoxyphenoxy)piperazine
CID 139626395
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
acetic acid;ethyl 2-piperazin-2-ylbenzoate
CID 19610475
(3R)-3-(2-ethoxyphenyl)morpholine
CID 42183310
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
N-ethyl-2-piperazin-2-ylaniline
CID 88527382
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol?
The IUPAC name of 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol (CID 171194105) is 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol is CCOc1cccc([C@H]2CNCCN2)c1O.
What is the InChIKey of 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol?
The InChIKey is LLVJZOFTIKTTFK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)10-8-13-6-7-14-10/h3-5,10,13-15H,2,6-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol?
2-ethoxy-6-[(2S)-piperazin-2-yl]phenol has a molecular weight of 222.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2S)-piperazin-2-yl]phenol is sourced from PubChem (CID 171194105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).