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

C15H22N2O2 — CID 171275894

IUPAC2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-4-5-14(18)13(10-12)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
InChIKeyNKTBWPPSYXFINW-HNNXBMFYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds4

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

2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol (PubChem CID 171275894) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
PubChem CID171275894
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-19-12-4-5-14(18)13(10-12)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
InChIKeyNKTBWPPSYXFINW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
4-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171275905
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol (CID 171275894) is 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol is COc1ccc(O)c([C@H](C2CC2)N2CCNCC2)c1.
What is the InChIKey of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol?
The InChIKey is NKTBWPPSYXFINW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-12-4-5-14(18)13(10-12)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 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol?
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-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 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 171275894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).