2-(3-piperazin-1-ylpropyl)quinolin-8-ol

C16H21N3O — CID 170868281

IUPAC2-(3-piperazin-1-ylpropyl)quinolin-8-ol
SMILESOc1cccc2ccc(CCCN3CCNCC3)nc12
InChIInChI=1S/C16H21N3O/c20-15-5-1-3-13-6-7-14(18-16(13)15)4-2-10-19-11-8-17-9-12-19/h1,3,5-7,17,20H,2,4,8-12H2
InChIKeyZUKLGPDEHRLYKF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-piperazin-1-ylpropyl)quinolin-8-ol

2-(3-piperazin-1-ylpropyl)quinolin-8-ol (PubChem CID 170868281) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpropyl)quinolin-8-ol.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpropyl)quinolin-8-ol
PubChem CID170868281
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-piperazin-1-ylpropyl)quinolin-8-ol
SMILESOc1cccc2ccc(CCCN3CCNCC3)nc12
InChIInChI=1S/C16H21N3O/c20-15-5-1-3-13-6-7-14(18-16(13)15)4-2-10-19-11-8-17-9-12-19/h1,3,5-7,17,20H,2,4,8-12H2
InChIKeyZUKLGPDEHRLYKF-UHFFFAOYSA-N
XLogP1.78
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
2-[(E)-hydroxyiminomethyl]-6-(4-piperazin-1-ylbutyl)pyridin-3-ol
CID 162753305
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
2-hex-5-ynylquinolin-8-ol
CID 87555229
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
2-[6-(9-aminononylamino)hexyl]quinolin-8-ol
CID 158463951
2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868293
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
8-(2-piperazin-1-ylethoxy)quinoline
CID 24849055

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpropyl)quinolin-8-ol?
The IUPAC name of 2-(3-piperazin-1-ylpropyl)quinolin-8-ol (CID 170868281) is 2-(3-piperazin-1-ylpropyl)quinolin-8-ol.
What is the SMILES notation for 2-(3-piperazin-1-ylpropyl)quinolin-8-ol?
The canonical SMILES for 2-(3-piperazin-1-ylpropyl)quinolin-8-ol is Oc1cccc2ccc(CCCN3CCNCC3)nc12.
What is the InChIKey of 2-(3-piperazin-1-ylpropyl)quinolin-8-ol?
The InChIKey is ZUKLGPDEHRLYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-15-5-1-3-13-6-7-14(18-16(13)15)4-2-10-19-11-8-17-9-12-19/h1,3,5-7,17,20H,2,4,8-12H2.
What are the key properties of 2-(3-piperazin-1-ylpropyl)quinolin-8-ol?
2-(3-piperazin-1-ylpropyl)quinolin-8-ol has a molecular weight of 271.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpropyl)quinolin-8-ol is sourced from PubChem (CID 170868281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).