5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol

C16H26N2O2 — CID 171273410

IUPAC5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N2CCNCC2)C(C)(C)C)cc1O
InChIInChI=1S/C16H26N2O2/c1-16(2,3)15(18-9-7-17-8-10-18)12-5-6-14(20-4)13(19)11-12/h5-6,11,15,17,19H,7-10H2,1-4H3/t15-/m1/s1
InChIKeyIWXHLEDACBLPMI-OAHLLOKOSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds3

About 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol

5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol (PubChem CID 171273410) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
PubChem CID171273410
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N2CCNCC2)C(C)(C)C)cc1O
InChIInChI=1S/C16H26N2O2/c1-16(2,3)15(18-9-7-17-8-10-18)12-5-6-14(20-4)13(19)11-12/h5-6,11,15,17,19H,7-10H2,1-4H3/t15-/m1/s1
InChIKeyIWXHLEDACBLPMI-OAHLLOKOSA-N
XLogP2.39
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171189857
[4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-hydroxyphenyl] acetate
CID 171295428
[4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-hydroxyphenyl] acetate;dihydrochloride
CID 171282809
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795
1-[(1S)-1-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropyl]piperazine
CID 171164988
[4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenyl] acetate;dihydrochloride
CID 171280958
1-[(1R)-1-(4-methoxy-3-nitrophenyl)-2,2-dimethylpropyl]piperazine
CID 171288650
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171284147
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-fluorophenol;hydrochloride
CID 171168105
1-[(1S)-2,2-dimethyl-1-(3,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273651
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3-methoxyphenol;dihydrochloride
CID 171284148

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol?
The IUPAC name of 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol (CID 171273410) is 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol is COc1ccc([C@@H](N2CCNCC2)C(C)(C)C)cc1O.
What is the InChIKey of 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol?
The InChIKey is IWXHLEDACBLPMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)15(18-9-7-17-8-10-18)12-5-6-14(20-4)13(19)11-12/h5-6,11,15,17,19H,7-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol?
5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol is sourced from PubChem (CID 171273410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).