5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol

C14H20N2O2 — CID 146201191

IUPAC5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol
SMILESCN1CCN(c2cc(O)cc3c2CCCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)13-9-11(17)10-14-12(13)3-2-8-18-14/h9-10,17H,2-8H2,1H3
InChIKeyINXOYEKDMCNODH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds1

About 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol

5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 146201191) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID146201191
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol
SMILESCN1CCN(c2cc(O)cc3c2CCCO3)CC1
InChIInChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)13-9-11(17)10-14-12(13)3-2-8-18-14/h9-10,17H,2-8H2,1H3
InChIKeyINXOYEKDMCNODH-UHFFFAOYSA-N
XLogP1.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol 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 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol (CID 146201191) is 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol is CN1CCN(c2cc(O)cc3c2CCCO3)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is INXOYEKDMCNODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-4-6-16(7-5-15)13-9-11(17)10-14-12(13)3-2-8-18-14/h9-10,17H,2-8H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol?
5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 248.33 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 146201191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).