4-(piperazin-1-ylmethyl)-2,6-naphthyridine

C13H16N4 — CID 84792284

IUPAC4-(piperazin-1-ylmethyl)-2,6-naphthyridine
SMILESc1cc2cncc(CN3CCNCC3)c2cn1
InChIInChI=1S/C13H16N4/c1-2-15-9-13-11(1)7-16-8-12(13)10-17-5-3-14-4-6-17/h1-2,7-9,14H,3-6,10H2
InChIKeyFDDBPMGCFYWVCP-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.03
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-2,6-naphthyridine

4-(piperazin-1-ylmethyl)-2,6-naphthyridine (PubChem CID 84792284) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-2,6-naphthyridine.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-2,6-naphthyridine
PubChem CID84792284
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(piperazin-1-ylmethyl)-2,6-naphthyridine
SMILESc1cc2cncc(CN3CCNCC3)c2cn1
InChIInChI=1S/C13H16N4/c1-2-15-9-13-11(1)7-16-8-12(13)10-17-5-3-14-4-6-17/h1-2,7-9,14H,3-6,10H2
InChIKeyFDDBPMGCFYWVCP-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperazin-1-ylmethyl)isoquinoline
CID 84791624
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992
8-piperazin-1-ylisoquinoline
CID 21070960
4-(piperazin-1-ylmethyl)cinnoline
CID 83893270
5-[[(3S)-3-methylpiperazin-1-yl]methyl]isoquinoline
CID 24954893
4-(piperazin-1-ylmethyl)benzene-1,2,3-triol
CID 12900434
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
8-piperazin-1-ylsulfonylisoquinoline
CID 86157701

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-2,6-naphthyridine?
The IUPAC name of 4-(piperazin-1-ylmethyl)-2,6-naphthyridine (CID 84792284) is 4-(piperazin-1-ylmethyl)-2,6-naphthyridine.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-2,6-naphthyridine?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-2,6-naphthyridine is c1cc2cncc(CN3CCNCC3)c2cn1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-2,6-naphthyridine?
The InChIKey is FDDBPMGCFYWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-15-9-13-11(1)7-16-8-12(13)10-17-5-3-14-4-6-17/h1-2,7-9,14H,3-6,10H2.
What are the key properties of 4-(piperazin-1-ylmethyl)-2,6-naphthyridine?
4-(piperazin-1-ylmethyl)-2,6-naphthyridine has a molecular weight of 228.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-2,6-naphthyridine is sourced from PubChem (CID 84792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).