1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol

C20H27N3O2 — CID 59488706

IUPAC1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol
SMILESCCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)O
InChIInChI=1S/C20H27N3O2/c1-4-18-19(8-9-21-20(18)15(2)24)25-17-7-5-6-16(14-17)23-12-10-22(3)11-13-23/h5-9,14-15,24H,4,10-13H2,1-3H3
InChIKeyAWJCYFSFJDUYCT-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.24
Rot. Bonds5

About 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol

1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol (PubChem CID 59488706) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol
PubChem CID59488706
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol
SMILESCCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)O
InChIInChI=1S/C20H27N3O2/c1-4-18-19(8-9-21-20(18)15(2)24)25-17-7-5-6-16(14-17)23-12-10-22(3)11-13-23/h5-9,14-15,24H,4,10-13H2,1-3H3
InChIKeyAWJCYFSFJDUYCT-UHFFFAOYSA-N
XLogP3.24
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol?
The IUPAC name of 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol (CID 59488706) is 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol is CCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)O.
What is the InChIKey of 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol?
The InChIKey is AWJCYFSFJDUYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-18-19(8-9-21-20(18)15(2)24)25-17-7-5-6-16(14-17)23-12-10-22(3)11-13-23/h5-9,14-15,24H,4,10-13H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol?
1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol has a molecular weight of 341.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[3-(4-methylpiperazin-1-yl)phenoxy]-2-pyridinyl]ethanol is sourced from PubChem (CID 59488706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).