4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol

C21H26N2O2 — CID 22154312

IUPAC4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCC3CCOc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N2O2/c24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-9-17-10-16-25-21-4-2-1-3-20(17)21/h1-8,17,24H,9-16H2
InChIKeyOIVBPXPBUURTQC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds4

About 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol

4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol (PubChem CID 22154312) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
PubChem CID22154312
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCC3CCOc4ccccc43)CC2)cc1
InChIInChI=1S/C21H26N2O2/c24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-9-17-10-16-25-21-4-2-1-3-20(17)21/h1-8,17,24H,9-16H2
InChIKeyOIVBPXPBUURTQC-UHFFFAOYSA-N
XLogP3.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol (CID 22154312) is 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CCC3CCOc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol?
The InChIKey is OIVBPXPBUURTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-9-17-10-16-25-21-4-2-1-3-20(17)21/h1-8,17,24H,9-16H2.
What are the key properties of 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol?
4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol has a molecular weight of 338.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 22154312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).