2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

C19H39N4O8P — CID 146341310

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
SMILESC[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCN(C(=O)OCCOCCOCCO)CC2)O1
InChIInChI=1S/C19H39N4O8P/c1-17-14-20-15-18(31-17)16-30-32(26,21(2)3)23-6-4-22(5-7-23)19(25)29-13-12-28-11-10-27-9-8-24/h17-18,20,24H,4-16H2,1-3H3/t17-,18-,32?/m0/s1
InChIKeyYAJNGAWAERAIPM-IGJDADKSSA-N
MW482.52 g/mol
LogP-0.17
Rot. Bonds13

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (PubChem CID 146341310) has the molecular formula C19H39N4O8P and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
PubChem CID146341310
Molecular FormulaC19H39N4O8P
Molecular Weight482.52 g/mol
Exact Mass482.25
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
SMILESC[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCN(C(=O)OCCOCCOCCO)CC2)O1
InChIInChI=1S/C19H39N4O8P/c1-17-14-20-15-18(31-17)16-30-32(26,21(2)3)23-6-4-22(5-7-23)19(25)29-13-12-28-11-10-27-9-8-24/h17-18,20,24H,4-16H2,1-3H3/t17-,18-,32?/m0/s1
InChIKeyYAJNGAWAERAIPM-IGJDADKSSA-N
XLogP-0.17
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (CID 146341310) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is C[C@H]1CNC[C@@H](COP(=O)(N(C)C)N2CCN(C(=O)OCCOCCOCCO)CC2)O1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The InChIKey is YAJNGAWAERAIPM-IGJDADKSSA-N. The full InChI is InChI=1S/C19H39N4O8P/c1-17-14-20-15-18(31-17)16-30-32(26,21(2)3)23-6-4-22(5-7-23)19(25)29-13-12-28-11-10-27-9-8-24/h17-18,20,24H,4-16H2,1-3H3/t17-,18-,32?/m0/s1.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate has a molecular weight of 482.52 g/mol, XLogP of -0.17, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 146341310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).