4-[phenyl(piperazin-1-yl)methyl]quinoline

C20H21N3 — CID 3561540

IUPAC4-[phenyl(piperazin-1-yl)methyl]quinoline
SMILESc1ccc(C(c2ccnc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C20H21N3/c1-2-6-16(7-3-1)20(23-14-12-21-13-15-23)18-10-11-22-19-9-5-4-8-17(18)19/h1-11,20-21H,12-15H2
InChIKeyFRVGCATZPIQVOG-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.23
Rot. Bonds3

About 4-[phenyl(piperazin-1-yl)methyl]quinoline

4-[phenyl(piperazin-1-yl)methyl]quinoline (PubChem CID 3561540) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[phenyl(piperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[phenyl(piperazin-1-yl)methyl]quinoline
PubChem CID3561540
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-[phenyl(piperazin-1-yl)methyl]quinoline
SMILESc1ccc(C(c2ccnc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C20H21N3/c1-2-6-16(7-3-1)20(23-14-12-21-13-15-23)18-10-11-22-19-9-5-4-8-17(18)19/h1-11,20-21H,12-15H2
InChIKeyFRVGCATZPIQVOG-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,4-diazepan-1-yl-(3-methylphenyl)methyl]quinoline
CID 5130113
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
4-[1,4-diazepan-1-yl-[3-(trifluoromethyl)phenyl]methyl]quinoline
CID 3695417
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
CID 4209519
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
4-[1,4-diazepan-1-yl-(2,3-dimethoxyphenyl)methyl]quinoline
CID 3750378
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]quinoline
CID 171297275
4-(1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985454
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294

Frequently Asked Questions

What is the IUPAC name of 4-[phenyl(piperazin-1-yl)methyl]quinoline?
The IUPAC name of 4-[phenyl(piperazin-1-yl)methyl]quinoline (CID 3561540) is 4-[phenyl(piperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[phenyl(piperazin-1-yl)methyl]quinoline?
The canonical SMILES for 4-[phenyl(piperazin-1-yl)methyl]quinoline is c1ccc(C(c2ccnc3ccccc23)N2CCNCC2)cc1.
What is the InChIKey of 4-[phenyl(piperazin-1-yl)methyl]quinoline?
The InChIKey is FRVGCATZPIQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-6-16(7-3-1)20(23-14-12-21-13-15-23)18-10-11-22-19-9-5-4-8-17(18)19/h1-11,20-21H,12-15H2.
What are the key properties of 4-[phenyl(piperazin-1-yl)methyl]quinoline?
4-[phenyl(piperazin-1-yl)methyl]quinoline has a molecular weight of 303.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenyl(piperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 3561540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).