3-[4-(2-phenylethyl)piperazin-1-yl]quinoline

C21H23N3 — CID 174498019

IUPAC3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
SMILESc1ccc(CCN2CCN(c3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-2-6-18(7-3-1)10-11-23-12-14-24(15-13-23)20-16-19-8-4-5-9-21(19)22-17-20/h1-9,16-17H,10-15H2
InChIKeyJEZDZKRZFCCBJF-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.60
Rot. Bonds4

About 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline

3-[4-(2-phenylethyl)piperazin-1-yl]quinoline (PubChem CID 174498019) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
PubChem CID174498019
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
SMILESc1ccc(CCN2CCN(c3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-2-6-18(7-3-1)10-11-23-12-14-24(15-13-23)20-16-19-8-4-5-9-21(19)22-17-20/h1-9,16-17H,10-15H2
InChIKeyJEZDZKRZFCCBJF-UHFFFAOYSA-N
XLogP3.60
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 174498519
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(4-phenylpiperazin-1-yl)quinolin-6-ol
CID 89443600
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418
[3-[4-(2-quinolin-2-ylethyl)piperazin-1-yl]phenyl]methanamine
CID 151351906
3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
CID 71321562
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline?
The IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline (CID 174498019) is 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline?
The canonical SMILES for 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline is c1ccc(CCN2CCN(c3cnc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline?
The InChIKey is JEZDZKRZFCCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-6-18(7-3-1)10-11-23-12-14-24(15-13-23)20-16-19-8-4-5-9-21(19)22-17-20/h1-9,16-17H,10-15H2.
What are the key properties of 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline?
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline has a molecular weight of 317.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 174498019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).