3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C20H22N2O3 — CID 134022339

IUPAC3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22N2O3/c23-18-7-3-2-6-17(18)21-9-11-22(12-10-21)20(24)16-13-15-5-1-4-8-19(15)25-14-16/h1-8,16,23H,9-14H2
InChIKeyCCELXALKSDXNQU-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.29
Rot. Bonds2

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

3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 134022339) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID134022339
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2C1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22N2O3/c23-18-7-3-2-6-17(18)21-9-11-22(12-10-21)20(24)16-13-15-5-1-4-8-19(15)25-14-16/h1-8,16,23H,9-14H2
InChIKeyCCELXALKSDXNQU-UHFFFAOYSA-N
XLogP2.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 134022339) is 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(C1COc2ccccc2C1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CCELXALKSDXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18-7-3-2-6-17(18)21-9-11-22(12-10-21)20(24)16-13-15-5-1-4-8-19(15)25-14-16/h1-8,16,23H,9-14H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134022339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).