5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine

C23H26N4 — CID 10428496

IUPAC5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4c3CCCN4)CC2)cc1
InChIInChI=1S/C23H26N4/c1-2-7-18(8-3-1)17-26-13-15-27(16-14-26)23-20-10-6-12-24-22(20)19-9-4-5-11-21(19)25-23/h1-5,7-9,11,24H,6,10,12-17H2
InChIKeyLPERTKLTHLSGGN-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.92
Rot. Bonds3

About 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine

5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine (PubChem CID 10428496) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
PubChem CID10428496
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
SMILESc1ccc(CN2CCN(c3nc4ccccc4c4c3CCCN4)CC2)cc1
InChIInChI=1S/C23H26N4/c1-2-7-18(8-3-1)17-26-13-15-27(16-14-26)23-20-10-6-12-24-22(20)19-9-4-5-11-21(19)25-23/h1-5,7-9,11,24H,6,10,12-17H2
InChIKeyLPERTKLTHLSGGN-UHFFFAOYSA-N
XLogP3.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 71858582
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 26399314
10-benzyl-12-(4-benzylpiperazin-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 46722373
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 166225630
3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171471
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 171334885

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine (CID 10428496) is 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine is c1ccc(CN2CCN(c3nc4ccccc4c4c3CCCN4)CC2)cc1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine?
The InChIKey is LPERTKLTHLSGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-2-7-18(8-3-1)17-26-13-15-27(16-14-26)23-20-10-6-12-24-22(20)19-9-4-5-11-21(19)25-23/h1-5,7-9,11,24H,6,10,12-17H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine?
5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine has a molecular weight of 358.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine is sourced from PubChem (CID 10428496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).