3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine

C23H25N2OP — CID 71520577

IUPAC3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
InChIKeyQUQHZFNLZWQRPY-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.58
Rot. Bonds5

About 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine

3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine (PubChem CID 71520577) has the molecular formula C23H25N2OP and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine
PubChem CID71520577
Molecular FormulaC23H25N2OP
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
InChIKeyQUQHZFNLZWQRPY-UHFFFAOYSA-N
XLogP4.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine (CID 71520577) is 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine is O=P(c1ccccc1)(c1ccccc1)C(c1cccnc1)N1CCCCC1.
What is the InChIKey of 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine?
The InChIKey is QUQHZFNLZWQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2.
What are the key properties of 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine?
3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine has a molecular weight of 376.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 71520577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).