2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol

C21H23N3O — CID 3080011

IUPAC2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C21H23N3O/c25-21(20-11-10-17-6-4-5-9-19(17)22-20)16-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-11,21,25H,12-16H2
InChIKeyBSZPDHKQIPAISQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol

2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol (PubChem CID 3080011) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol
PubChem CID3080011
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C21H23N3O/c25-21(20-11-10-17-6-4-5-9-19(17)22-20)16-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-11,21,25H,12-16H2
InChIKeyBSZPDHKQIPAISQ-UHFFFAOYSA-N
XLogP3.09
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol (CID 3080011) is 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol is OC(CN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol?
The InChIKey is BSZPDHKQIPAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21(20-11-10-17-6-4-5-9-19(17)22-20)16-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-11,21,25H,12-16H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol?
2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol has a molecular weight of 333.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-1-quinolin-2-ylethanol is sourced from PubChem (CID 3080011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).