(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate

C18H21N2O2P — CID 143572443

IUPAC(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(P)CC1
InChIInChI=1S/C18H21N2O2P/c21-18(22-15-10-12-20(23)13-11-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13,23H2,(H,19,21)
InChIKeyIJPSPRYLVXQHCC-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.16
Rot. Bonds3

About (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate

(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (PubChem CID 143572443) has the molecular formula C18H21N2O2P and a molecular weight of 328.35 g/mol. Its IUPAC name is (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
PubChem CID143572443
Molecular FormulaC18H21N2O2P
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(P)CC1
InChIInChI=1S/C18H21N2O2P/c21-18(22-15-10-12-20(23)13-11-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13,23H2,(H,19,21)
InChIKeyIJPSPRYLVXQHCC-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
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 (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The IUPAC name of (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate (CID 143572443) is (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate.
What is the SMILES notation for (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The canonical SMILES for (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(P)CC1.
What is the InChIKey of (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
The InChIKey is IJPSPRYLVXQHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2O2P/c21-18(22-15-10-12-20(23)13-11-15)19-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15H,10-13,23H2,(H,19,21).
What are the key properties of (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate?
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate has a molecular weight of 328.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 143572443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).