1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol

C19H25N3O2 — CID 167941925

IUPAC1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol
SMILESCOc1ccccc1N1CCC(Nc2cccc(C(C)O)n2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(23)16-6-5-9-19(21-16)20-15-10-12-22(13-11-15)17-7-3-4-8-18(17)24-2/h3-9,14-15,23H,10-13H2,1-2H3,(H,20,21)
InChIKeyXFSULSOKPIATNJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.22
Rot. Bonds5

About 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol

1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol (PubChem CID 167941925) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol
PubChem CID167941925
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol
SMILESCOc1ccccc1N1CCC(Nc2cccc(C(C)O)n2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(23)16-6-5-9-19(21-16)20-15-10-12-22(13-11-15)17-7-3-4-8-18(17)24-2/h3-9,14-15,23H,10-13H2,1-2H3,(H,20,21)
InChIKeyXFSULSOKPIATNJ-UHFFFAOYSA-N
XLogP3.22
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol (CID 167941925) is 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol is COc1ccccc1N1CCC(Nc2cccc(C(C)O)n2)CC1.
What is the InChIKey of 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol?
The InChIKey is XFSULSOKPIATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(23)16-6-5-9-19(21-16)20-15-10-12-22(13-11-15)17-7-3-4-8-18(17)24-2/h3-9,14-15,23H,10-13H2,1-2H3,(H,20,21).
What are the key properties of 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol?
1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol has a molecular weight of 327.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 167941925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).