4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol

C15H22N2O2 — CID 171276134

IUPAC4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1cc([C@H](C2CC2)N2CCNCC2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-19-14-10-12(4-5-13(14)18)15(11-2-3-11)17-8-6-16-7-9-17/h4-5,10-11,15-16,18H,2-3,6-9H2,1H3/t15-/m0/s1
InChIKeySINPVWUEOKPEMH-HNNXBMFYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds4

About 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol

4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol (PubChem CID 171276134) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
PubChem CID171276134
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
SMILESCOc1cc([C@H](C2CC2)N2CCNCC2)ccc1O
InChIInChI=1S/C15H22N2O2/c1-19-14-10-12(4-5-13(14)18)15(11-2-3-11)17-8-6-16-7-9-17/h4-5,10-11,15-16,18H,2-3,6-9H2,1H3/t15-/m0/s1
InChIKeySINPVWUEOKPEMH-HNNXBMFYSA-N
XLogP1.76
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenyl] acetate
CID 171280937
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222
[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-2-hydroxyphenyl] acetate
CID 171295408
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol (CID 171276134) is 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol is COc1cc([C@H](C2CC2)N2CCNCC2)ccc1O.
What is the InChIKey of 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol?
The InChIKey is SINPVWUEOKPEMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-10-12(4-5-13(14)18)15(11-2-3-11)17-8-6-16-7-9-17/h4-5,10-11,15-16,18H,2-3,6-9H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol?
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol has a molecular weight of 262.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 171276134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).