[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride

C20H28ClN2P — CID 139152753

IUPAC[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride
SMILESC[C@H](CP(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1.[Cl-]
InChIInChI=1S/C20H27N2P.ClH/c1-18(22-15-13-21(2)14-16-22)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18H,13-17H2,1-2H3;1H/t18-;/m1./s1
InChIKeyVEUSSOGSLYOFDB-GMUIIQOCSA-N
MW362.88 g/mol
LogP-1.66
Rot. Bonds5

About [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride

[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride (PubChem CID 139152753) has the molecular formula C20H28ClN2P and a molecular weight of 362.88 g/mol. Its IUPAC name is [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride.

Molecular Properties

Compound Name[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride
PubChem CID139152753
Molecular FormulaC20H28ClN2P
Molecular Weight362.88 g/mol
Exact Mass362.17
IUPAC Name[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride
SMILESC[C@H](CP(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1.[Cl-]
InChIInChI=1S/C20H27N2P.ClH/c1-18(22-15-13-21(2)14-16-22)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18H,13-17H2,1-2H3;1H/t18-;/m1./s1
InChIKeyVEUSSOGSLYOFDB-GMUIIQOCSA-N
XLogP-1.66
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride?
The IUPAC name of [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride (CID 139152753) is [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride.
What is the SMILES notation for [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride?
The canonical SMILES for [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride is C[C@H](CP(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1.[Cl-].
What is the InChIKey of [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride?
The InChIKey is VEUSSOGSLYOFDB-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H27N2P.ClH/c1-18(22-15-13-21(2)14-16-22)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18H,13-17H2,1-2H3;1H/t18-;/m1./s1.
What are the key properties of [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride?
[(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride has a molecular weight of 362.88 g/mol, XLogP of -1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-diphenylphosphane chloride is sourced from PubChem (CID 139152753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).