3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol

C12H18N2O — CID 54582146

IUPAC3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol
SMILESC[C@H]1CN(C)CCN1c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c1-10-9-13(2)6-7-14(10)11-4-3-5-12(15)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyTVGXOOZPDLJTGP-JTQLQIEISA-N
MW206.29 g/mol
LogP1.53
Rot. Bonds1

About 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol

3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol (PubChem CID 54582146) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol
PubChem CID54582146
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol
SMILESC[C@H]1CN(C)CCN1c1cccc(O)c1
InChIInChI=1S/C12H18N2O/c1-10-9-13(2)6-7-14(10)11-4-3-5-12(15)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyTVGXOOZPDLJTGP-JTQLQIEISA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol?
The IUPAC name of 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol (CID 54582146) is 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol.
What is the SMILES notation for 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol?
The canonical SMILES for 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol is C[C@H]1CN(C)CCN1c1cccc(O)c1.
What is the InChIKey of 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol?
The InChIKey is TVGXOOZPDLJTGP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-9-13(2)6-7-14(10)11-4-3-5-12(15)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol?
3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol is sourced from PubChem (CID 54582146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).