methyl 2-diphenylphosphorylpiperidine-1-carboxylate

C19H22NO3P — CID 71410389

IUPACmethyl 2-diphenylphosphorylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO3P/c1-23-19(21)20-15-9-8-14-18(20)24(22,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3
InChIKeyWBIKURWZQVRNGG-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.58
Rot. Bonds3

About methyl 2-diphenylphosphorylpiperidine-1-carboxylate

methyl 2-diphenylphosphorylpiperidine-1-carboxylate (PubChem CID 71410389) has the molecular formula C19H22NO3P and a molecular weight of 343.36 g/mol. Its IUPAC name is methyl 2-diphenylphosphorylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-diphenylphosphorylpiperidine-1-carboxylate
PubChem CID71410389
Molecular FormulaC19H22NO3P
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Namemethyl 2-diphenylphosphorylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO3P/c1-23-19(21)20-15-9-8-14-18(20)24(22,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3
InChIKeyWBIKURWZQVRNGG-UHFFFAOYSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.58
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 methyl 2-diphenylphosphorylpiperidine-1-carboxylate?
The IUPAC name of methyl 2-diphenylphosphorylpiperidine-1-carboxylate (CID 71410389) is methyl 2-diphenylphosphorylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 2-diphenylphosphorylpiperidine-1-carboxylate?
The canonical SMILES for methyl 2-diphenylphosphorylpiperidine-1-carboxylate is COC(=O)N1CCCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-diphenylphosphorylpiperidine-1-carboxylate?
The InChIKey is WBIKURWZQVRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO3P/c1-23-19(21)20-15-9-8-14-18(20)24(22,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,8-9,14-15H2,1H3.
What are the key properties of methyl 2-diphenylphosphorylpiperidine-1-carboxylate?
methyl 2-diphenylphosphorylpiperidine-1-carboxylate has a molecular weight of 343.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diphenylphosphorylpiperidine-1-carboxylate is sourced from PubChem (CID 71410389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).