1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol

C14H22N2O2 — CID 117379674

IUPAC1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C14H22N2O2/c17-11-14(18)13-4-2-1-3-12(13)5-8-16-9-6-15-7-10-16/h1-4,14-15,17-18H,5-11H2
InChIKeyUEDAWHXMHRFFHV-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.16
Rot. Bonds5

About 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol

1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol (PubChem CID 117379674) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
PubChem CID117379674
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccccc1CCN1CCNCC1
InChIInChI=1S/C14H22N2O2/c17-11-14(18)13-4-2-1-3-12(13)5-8-16-9-6-15-7-10-16/h1-4,14-15,17-18H,5-11H2
InChIKeyUEDAWHXMHRFFHV-UHFFFAOYSA-N
XLogP0.16
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
CID 84702608
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one
CID 117433949
1-[2-(2-cyclopropylsulfonylphenyl)ethyl]piperazine
CID 117475097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol (CID 117379674) is 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol is OCC(O)c1ccccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol?
The InChIKey is UEDAWHXMHRFFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-11-14(18)13-4-2-1-3-12(13)5-8-16-9-6-15-7-10-16/h1-4,14-15,17-18H,5-11H2.
What are the key properties of 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol?
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117379674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).