4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine

C21H27N3O — CID 70910584

IUPAC4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine
SMILESCc1cccc2c1Oc1ccccc1N2CCCCN1CCNCC1
InChIInChI=1S/C21H27N3O/c1-17-7-6-9-19-21(17)25-20-10-3-2-8-18(20)24(19)14-5-4-13-23-15-11-22-12-16-23/h2-3,6-10,22H,4-5,11-16H2,1H3
InChIKeyVJLMKELMJJBBPP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.92
Rot. Bonds5

About 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine

4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine (PubChem CID 70910584) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine.

Molecular Properties

Compound Name4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine
PubChem CID70910584
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine
SMILESCc1cccc2c1Oc1ccccc1N2CCCCN1CCNCC1
InChIInChI=1S/C21H27N3O/c1-17-7-6-9-19-21(17)25-20-10-3-2-8-18(20)24(19)14-5-4-13-23-15-11-22-12-16-23/h2-3,6-10,22H,4-5,11-16H2,1H3
InChIKeyVJLMKELMJJBBPP-UHFFFAOYSA-N
XLogP3.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
1-pentylpiperazine;toluene
CID 68982278
ethane;10-hexylphenoxazine
CID 143421722
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazin-3-amine
CID 70121624
1-[2-(2,3-dimethylphenyl)sulfanylphenyl]piperazine;hydrochloride
CID 53237898
10-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)phenoxazine
CID 11559847
4-butyl-5-piperazin-1-yl-1,4-benzoxazin-3-one
CID 82346275
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
CID 10695223
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
10-[2-(2-piperidin-1-ylethoxy)ethyl]phenoxazine
CID 23186725
N,N-dimethyl-4-(4-piperazin-1-yl-1,3-dihydroisoindol-2-yl)butan-1-amine
CID 82163593
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
CID 28808284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine?
The IUPAC name of 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine (CID 70910584) is 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine.
What is the SMILES notation for 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine?
The canonical SMILES for 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine is Cc1cccc2c1Oc1ccccc1N2CCCCN1CCNCC1.
What is the InChIKey of 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine?
The InChIKey is VJLMKELMJJBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-7-6-9-19-21(17)25-20-10-3-2-8-18(20)24(19)14-5-4-13-23-15-11-22-12-16-23/h2-3,6-10,22H,4-5,11-16H2,1H3.
What are the key properties of 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine?
4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine has a molecular weight of 337.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-(4-piperazin-1-ylbutyl)phenoxazine is sourced from PubChem (CID 70910584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).