1-(diphenylphosphorylmethyl)piperidine

C18H22NOP — CID 877747

IUPAC1-(diphenylphosphorylmethyl)piperidine
SMILESO=P(CN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyWXKQUNNYYSMKMZ-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.44
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)piperidine

1-(diphenylphosphorylmethyl)piperidine (PubChem CID 877747) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)piperidine.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)piperidine
PubChem CID877747
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-(diphenylphosphorylmethyl)piperidine
SMILESO=P(CN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOP/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2
InChIKeyWXKQUNNYYSMKMZ-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphorylmethyl)piperidine?
The IUPAC name of 1-(diphenylphosphorylmethyl)piperidine (CID 877747) is 1-(diphenylphosphorylmethyl)piperidine.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)piperidine?
The canonical SMILES for 1-(diphenylphosphorylmethyl)piperidine is O=P(CN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)piperidine?
The InChIKey is WXKQUNNYYSMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NOP/c20-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)16-19-14-8-3-9-15-19/h1-2,4-7,10-13H,3,8-9,14-16H2.
What are the key properties of 1-(diphenylphosphorylmethyl)piperidine?
1-(diphenylphosphorylmethyl)piperidine has a molecular weight of 299.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)piperidine is sourced from PubChem (CID 877747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).