2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol

C18H23N3O2 — CID 3044999

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2ccncc2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-18-5-3-2-4-16(18)21-12-10-20(11-13-21)14-17(22)15-6-8-19-9-7-15/h2-9,17,22H,10-14H2,1H3
InChIKeyCUWWSCCETGNYAJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.95
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol (PubChem CID 3044999) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol
PubChem CID3044999
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2ccncc2)CC1
InChIInChI=1S/C18H23N3O2/c1-23-18-5-3-2-4-16(18)21-12-10-20(11-13-21)14-17(22)15-6-8-19-9-7-15/h2-9,17,22H,10-14H2,1H3
InChIKeyCUWWSCCETGNYAJ-UHFFFAOYSA-N
XLogP1.95
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol (CID 3044999) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol is COc1ccccc1N1CCN(CC(O)c2ccncc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol?
The InChIKey is CUWWSCCETGNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-18-5-3-2-4-16(18)21-12-10-20(11-13-21)14-17(22)15-6-8-19-9-7-15/h2-9,17,22H,10-14H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol has a molecular weight of 313.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 3044999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).