2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol

C16H25NO3 — CID 117448321

IUPAC2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
SMILESCOc1cccc(C(C)CO)c1OC1CCN(C)CC1
InChIInChI=1S/C16H25NO3/c1-12(11-18)14-5-4-6-15(19-3)16(14)20-13-7-9-17(2)10-8-13/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyCTEKFRRDOUELEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol

2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol (PubChem CID 117448321) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
PubChem CID117448321
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
SMILESCOc1cccc(C(C)CO)c1OC1CCN(C)CC1
InChIInChI=1S/C16H25NO3/c1-12(11-18)14-5-4-6-15(19-3)16(14)20-13-7-9-17(2)10-8-13/h4-6,12-13,18H,7-11H2,1-3H3
InChIKeyCTEKFRRDOUELEJ-UHFFFAOYSA-N
XLogP2.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117377386
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
1-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-(methylamino)ethanol
CID 117475037
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
3-[3-methoxy-2-(thian-4-yloxy)phenyl]butanal
CID 117475105
3-amino-2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493379
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The IUPAC name of 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol (CID 117448321) is 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol.
What is the SMILES notation for 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The canonical SMILES for 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol is COc1cccc(C(C)CO)c1OC1CCN(C)CC1.
What is the InChIKey of 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
The InChIKey is CTEKFRRDOUELEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(11-18)14-5-4-6-15(19-3)16(14)20-13-7-9-17(2)10-8-13/h4-6,12-13,18H,7-11H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol?
2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol is sourced from PubChem (CID 117448321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).