[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane

C14H20NOP — CID 59874425

IUPAC[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane
SMILESCc1ccccc1C1(C2CCN(P)CC2)CO1
InChIInChI=1S/C14H20NOP/c1-11-4-2-3-5-13(11)14(10-16-14)12-6-8-15(17)9-7-12/h2-5,12H,6-10,17H2,1H3
InChIKeyPMZOOPFXNUMIGL-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.72
Rot. Bonds2

About [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane

[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane (PubChem CID 59874425) has the molecular formula C14H20NOP and a molecular weight of 249.29 g/mol. Its IUPAC name is [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane.

Molecular Properties

Compound Name[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane
PubChem CID59874425
Molecular FormulaC14H20NOP
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane
SMILESCc1ccccc1C1(C2CCN(P)CC2)CO1
InChIInChI=1S/C14H20NOP/c1-11-4-2-3-5-13(11)14(10-16-14)12-6-8-15(17)9-7-12/h2-5,12H,6-10,17H2,1H3
InChIKeyPMZOOPFXNUMIGL-UHFFFAOYSA-N
XLogP2.72
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane?
The IUPAC name of [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane (CID 59874425) is [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane.
What is the SMILES notation for [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane?
The canonical SMILES for [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane is Cc1ccccc1C1(C2CCN(P)CC2)CO1.
What is the InChIKey of [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane?
The InChIKey is PMZOOPFXNUMIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NOP/c1-11-4-2-3-5-13(11)14(10-16-14)12-6-8-15(17)9-7-12/h2-5,12H,6-10,17H2,1H3.
What are the key properties of [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane?
[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane has a molecular weight of 249.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane is sourced from PubChem (CID 59874425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).