methanolate;tetra(piperidin-1-yl)phosphanium

C21H43N4OP — CID 175015869

IUPACmethanolate;tetra(piperidin-1-yl)phosphanium
SMILESC1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCCCC2)CC1.C[O-]
InChIInChI=1S/C20H40N4P.CH3O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H2;1H3/q+1;-1
InChIKeyVYWPWFRUWZGYPO-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.58
Rot. Bonds4

About methanolate;tetra(piperidin-1-yl)phosphanium

methanolate;tetra(piperidin-1-yl)phosphanium (PubChem CID 175015869) has the molecular formula C21H43N4OP and a molecular weight of 398.58 g/mol. Its IUPAC name is methanolate;tetra(piperidin-1-yl)phosphanium.

Molecular Properties

Compound Namemethanolate;tetra(piperidin-1-yl)phosphanium
PubChem CID175015869
Molecular FormulaC21H43N4OP
Molecular Weight398.58 g/mol
Exact Mass398.32
IUPAC Namemethanolate;tetra(piperidin-1-yl)phosphanium
SMILESC1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCCCC2)CC1.C[O-]
InChIInChI=1S/C20H40N4P.CH3O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H2;1H3/q+1;-1
InChIKeyVYWPWFRUWZGYPO-UHFFFAOYSA-N
XLogP3.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methanolate;tetrapyrrolidin-1-ylphosphanium
CID 175019090
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
CID 157117793
bromo(tripyrrolidin-1-yl)phosphanium;phosphane
CID 172841152
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
methane;tris(1-methylpiperidine)
CID 162076357
CID 68772535
CID 68772535
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091

Frequently Asked Questions

What is the IUPAC name of methanolate;tetra(piperidin-1-yl)phosphanium?
The IUPAC name of methanolate;tetra(piperidin-1-yl)phosphanium (CID 175015869) is methanolate;tetra(piperidin-1-yl)phosphanium.
What is the SMILES notation for methanolate;tetra(piperidin-1-yl)phosphanium?
The canonical SMILES for methanolate;tetra(piperidin-1-yl)phosphanium is C1CCN([P+](N2CCCCC2)(N2CCCCC2)N2CCCCC2)CC1.C[O-].
What is the InChIKey of methanolate;tetra(piperidin-1-yl)phosphanium?
The InChIKey is VYWPWFRUWZGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4P.CH3O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2/h1-20H2;1H3/q+1;-1.
What are the key properties of methanolate;tetra(piperidin-1-yl)phosphanium?
methanolate;tetra(piperidin-1-yl)phosphanium has a molecular weight of 398.58 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;tetra(piperidin-1-yl)phosphanium is sourced from PubChem (CID 175015869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).