1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol

C17H25NO3 — CID 117470886

IUPAC1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1cccc(CC2(O)CC2)c1OC1CCCN(C)C1
InChIInChI=1S/C17H25NO3/c1-18-10-4-6-14(12-18)21-16-13(11-17(19)8-9-17)5-3-7-15(16)20-2/h3,5,7,14,19H,4,6,8-12H2,1-2H3
InChIKeyDGUVYEZOPZHGLP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.24
Rot. Bonds5

About 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol

1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol (PubChem CID 117470886) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
PubChem CID117470886
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
SMILESCOc1cccc(CC2(O)CC2)c1OC1CCCN(C)C1
InChIInChI=1S/C17H25NO3/c1-18-10-4-6-14(12-18)21-16-13(11-17(19)8-9-17)5-3-7-15(16)20-2/h3,5,7,14,19H,4,6,8-12H2,1-2H3
InChIKeyDGUVYEZOPZHGLP-UHFFFAOYSA-N
XLogP2.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117473276
1-[[4-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117408226
1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
CID 117475037
3-amino-2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493379
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
CID 117444399
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111564178

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol (CID 117470886) is 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol is COc1cccc(CC2(O)CC2)c1OC1CCCN(C)C1.
What is the InChIKey of 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol?
The InChIKey is DGUVYEZOPZHGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18-10-4-6-14(12-18)21-16-13(11-17(19)8-9-17)5-3-7-15(16)20-2/h3,5,7,14,19H,4,6,8-12H2,1-2H3.
What are the key properties of 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol?
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117470886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).