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

C21H25ClN2O3 — CID 120735066

IUPAC3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1COc2ccccc2C1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16;/h2-9,16,18,22H,10-14H2,1H3;1H
InChIKeyUUWWWPLOCHGXFB-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.84
Rot. Bonds3

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

3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120735066) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120735066
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C1COc2ccccc2C1.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16;/h2-9,16,18,22H,10-14H2,1H3;1H
InChIKeyUUWWWPLOCHGXFB-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734578
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732955
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 120735194
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
[1-(furan-3-carbonyl)piperidin-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734626
4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one;hydrochloride
CID 120734241
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120735066) is 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C1COc2ccccc2C1.Cl.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is UUWWWPLOCHGXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-25-20-9-5-3-7-17(20)18-13-22-10-11-23(18)21(24)16-12-15-6-2-4-8-19(15)26-14-16;/h2-9,16,18,22H,10-14H2,1H3;1H.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride?
3,4-dihydro-2H-chromen-3-yl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.84, 3 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-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120735066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).