3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine

C76H93BrClFN12P4 — CID 158515359

IUPAC3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine
SMILESCN1CCN(CCN2c3ccccc3Pc3ccc(Br)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(Cl)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(F)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccccc32)CC1
InChIInChI=1S/C19H23BrN3P.C19H23ClN3P.C19H23FN3P.C19H24N3P/c3*1-21-8-10-22(11-9-21)12-13-23-16-4-2-3-5-18(16)24-19-7-6-15(20)14-17(19)23;1-20-10-12-21(13-11-20)14-15-22-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)22/h3*2-7,14,24H,8-13H2,1H3;2-9,23H,10-15H2,1H3
InChIKeyHLOFNUJBZSWDJT-UHFFFAOYSA-N
MW1432.91 g/mol
LogP9.61
Rot. Bonds12

About 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine

3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine (PubChem CID 158515359) has the molecular formula C76H93BrClFN12P4 and a molecular weight of 1432.91 g/mol. Its IUPAC name is 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine.

Molecular Properties

Compound Name3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine
PubChem CID158515359
Molecular FormulaC76H93BrClFN12P4
Molecular Weight1432.91 g/mol
Exact Mass1430.55
IUPAC Name3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine
SMILESCN1CCN(CCN2c3ccccc3Pc3ccc(Br)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(Cl)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(F)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccccc32)CC1
InChIInChI=1S/C19H23BrN3P.C19H23ClN3P.C19H23FN3P.C19H24N3P/c3*1-21-8-10-22(11-9-21)12-13-23-16-4-2-3-5-18(16)24-19-7-6-15(20)14-17(19)23;1-20-10-12-21(13-11-20)14-15-22-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)22/h3*2-7,14,24H,8-13H2,1H3;2-9,23H,10-15H2,1H3
InChIKeyHLOFNUJBZSWDJT-UHFFFAOYSA-N
XLogP9.61
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001432.91
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine with MolForge

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Related Compounds

2-chloro-10-[2-(4-ethylpiperazin-1-yl)ethyl]-5H-phenazine
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bis((Z)-but-2-enedioic acid);bis(2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine)
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2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
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3-bromo-6-(4-methylpiperazin-1-yl)-11H-benzo[b][4,1]benzazaphosphepine
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2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
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N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
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1-(3-bromo-9H-acridin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
CID 70899386
2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
CID 165091740
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
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1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine?
The IUPAC name of 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine (CID 158515359) is 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine.
What is the SMILES notation for 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine?
The canonical SMILES for 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine is CN1CCN(CCN2c3ccccc3Pc3ccc(Br)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(Cl)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccc(F)cc32)CC1.CN1CCN(CCN2c3ccccc3Pc3ccccc32)CC1.
What is the InChIKey of 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine?
The InChIKey is HLOFNUJBZSWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN3P.C19H23ClN3P.C19H23FN3P.C19H24N3P/c3*1-21-8-10-22(11-9-21)12-13-23-16-4-2-3-5-18(16)24-19-7-6-15(20)14-17(19)23;1-20-10-12-21(13-11-20)14-15-22-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)22/h3*2-7,14,24H,8-13H2,1H3;2-9,23H,10-15H2,1H3.
What are the key properties of 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine?
3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine has a molecular weight of 1432.91 g/mol, XLogP of 9.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-chloro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine;5-[2-(4-methylpiperazin-1-yl)ethyl]-10H-phenophosphazinine is sourced from PubChem (CID 158515359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).