1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one

C13H16Cl2N2O2 — CID 82266995

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1cc(Cl)cc(Cl)c1O)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(17-4-2-16-3-5-17)12(18)10-6-9(14)7-11(15)13(10)19/h6-8,16,19H,2-5H2,1H3
InChIKeyROTMZKDCLNGBET-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.18
Rot. Bonds3

About 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one

1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82266995) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82266995
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1cc(Cl)cc(Cl)c1O)N1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(17-4-2-16-3-5-17)12(18)10-6-9(14)7-11(15)13(10)19/h6-8,16,19H,2-5H2,1H3
InChIKeyROTMZKDCLNGBET-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2-ethyl-4-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82267459
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82267292
N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130681
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
CID 82136391
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
2,4-dichloro-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308533
2,4-dichloro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171174905
2,4-dichloro-6-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171272180
1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
1-(4-methoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266482

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one (CID 82266995) is 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)c1cc(Cl)cc(Cl)c1O)N1CCNCC1.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is ROTMZKDCLNGBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(17-4-2-16-3-5-17)12(18)10-6-9(14)7-11(15)13(10)19/h6-8,16,19H,2-5H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one?
1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 303.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).