morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride

C19H38ClN4OP — CID 18769775

IUPACmorpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride
SMILESC1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCOCC2)CC1.[Cl-]
InChIInChI=1S/C19H38N4OP.ClH/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-24-19-17-23;/h1-19H2;1H/q+1;/p-1
InChIKeyVQTVVRZSICDXOK-UHFFFAOYSA-M
MW404.97 g/mol
LogP0.46
Rot. Bonds4

About morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride

morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride (PubChem CID 18769775) has the molecular formula C19H38ClN4OP and a molecular weight of 404.97 g/mol. Its IUPAC name is morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride.

Molecular Properties

Compound Namemorpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride
PubChem CID18769775
Molecular FormulaC19H38ClN4OP
Molecular Weight404.97 g/mol
Exact Mass404.25
IUPAC Namemorpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride
SMILESC1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCOCC2)CC1.[Cl-]
InChIInChI=1S/C19H38N4OP.ClH/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-24-19-17-23;/h1-19H2;1H/q+1;/p-1
InChIKeyVQTVVRZSICDXOK-UHFFFAOYSA-M
XLogP0.46
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride?
The IUPAC name of morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride (CID 18769775) is morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride.
What is the SMILES notation for morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride?
The canonical SMILES for morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride is C1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCOCC2)CC1.[Cl-].
What is the InChIKey of morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride?
The InChIKey is VQTVVRZSICDXOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H38N4OP.ClH/c1-4-10-20(11-5-1)25(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23-16-18-24-19-17-23;/h1-19H2;1H/q+1;/p-1.
What are the key properties of morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride?
morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride has a molecular weight of 404.97 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-tri(piperidin-1-yl)phosphanium chloride is sourced from PubChem (CID 18769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).