methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane

C19H31N2O2P — CID 139470566

IUPACmethylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane
SMILESC=P(OCCc1ccc(C)cc1)(N1CCCCC1)N1CCOCC1
InChIInChI=1S/C19H31N2O2P/c1-18-6-8-19(9-7-18)10-15-23-24(2,20-11-4-3-5-12-20)21-13-16-22-17-14-21/h6-9H,2-5,10-17H2,1H3
InChIKeyBIDPEWCEDHADML-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.57
Rot. Bonds6

About methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane

methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane (PubChem CID 139470566) has the molecular formula C19H31N2O2P and a molecular weight of 350.44 g/mol. Its IUPAC name is methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane.

Molecular Properties

Compound Namemethylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane
PubChem CID139470566
Molecular FormulaC19H31N2O2P
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Namemethylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane
SMILESC=P(OCCc1ccc(C)cc1)(N1CCCCC1)N1CCOCC1
InChIInChI=1S/C19H31N2O2P/c1-18-6-8-19(9-7-18)10-15-23-24(2,20-11-4-3-5-12-20)21-13-16-22-17-14-21/h6-9H,2-5,10-17H2,1H3
InChIKeyBIDPEWCEDHADML-UHFFFAOYSA-N
XLogP3.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane?
The IUPAC name of methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane (CID 139470566) is methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane.
What is the SMILES notation for methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane?
The canonical SMILES for methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane is C=P(OCCc1ccc(C)cc1)(N1CCCCC1)N1CCOCC1.
What is the InChIKey of methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane?
The InChIKey is BIDPEWCEDHADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N2O2P/c1-18-6-8-19(9-7-18)10-15-23-24(2,20-11-4-3-5-12-20)21-13-16-22-17-14-21/h6-9H,2-5,10-17H2,1H3.
What are the key properties of methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane?
methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane has a molecular weight of 350.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[2-(4-methylphenyl)ethoxy]-morpholin-4-yl-piperidin-1-yl-λ5-phosphane is sourced from PubChem (CID 139470566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).