4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol

C14H22N2O4 — CID 171183397

IUPAC4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1[C@H](CO)N1CCNCC1
InChIInChI=1S/C14H22N2O4/c1-19-12-7-10(18)8-13(20-2)14(12)11(9-17)16-5-3-15-4-6-16/h7-8,11,15,17-18H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyRHFAUDBEYVPQSU-NSHDSACASA-N
MW282.34 g/mol
LogP0.35
Rot. Bonds5

About 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol

4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol (PubChem CID 171183397) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
PubChem CID171183397
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1[C@H](CO)N1CCNCC1
InChIInChI=1S/C14H22N2O4/c1-19-12-7-10(18)8-13(20-2)14(12)11(9-17)16-5-3-15-4-6-16/h7-8,11,15,17-18H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyRHFAUDBEYVPQSU-NSHDSACASA-N
XLogP0.35
TPSA74.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171189535
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
3,5-dimethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol
CID 171310995
3,5-dimethoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309229
3,5-dimethoxy-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171164214
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278888
3,5-dimethoxy-4-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171291518
(3R)-3-(2,6-dimethoxy-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189343
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171291492
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171278867
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol?
The IUPAC name of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol (CID 171183397) is 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol?
The canonical SMILES for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol is COc1cc(O)cc(OC)c1[C@H](CO)N1CCNCC1.
What is the InChIKey of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol?
The InChIKey is RHFAUDBEYVPQSU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O4/c1-19-12-7-10(18)8-13(20-2)14(12)11(9-17)16-5-3-15-4-6-16/h7-8,11,15,17-18H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol?
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol has a molecular weight of 282.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 171183397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).