2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate

C12H26N3O4P — CID 155764206

IUPAC2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate
SMILESCC(C)OP(N(C)C)N1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C12H26N3O4P/c1-11(2)19-20(13(3)4)15-7-5-14(6-8-15)12(17)18-10-9-16/h11,16H,5-10H2,1-4H3
InChIKeyJBNMRTFMHKDMAB-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.95
Rot. Bonds6

About 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate

2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate (PubChem CID 155764206) has the molecular formula C12H26N3O4P and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate
PubChem CID155764206
Molecular FormulaC12H26N3O4P
Molecular Weight307.33 g/mol
Exact Mass307.17
IUPAC Name2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate
SMILESCC(C)OP(N(C)C)N1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C12H26N3O4P/c1-11(2)19-20(13(3)4)15-7-5-14(6-8-15)12(17)18-10-9-16/h11,16H,5-10H2,1-4H3
InChIKeyJBNMRTFMHKDMAB-UHFFFAOYSA-N
XLogP0.95
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate (CID 155764206) is 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate is CC(C)OP(N(C)C)N1CCN(C(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate?
The InChIKey is JBNMRTFMHKDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N3O4P/c1-11(2)19-20(13(3)4)15-7-5-14(6-8-15)12(17)18-10-9-16/h11,16H,5-10H2,1-4H3.
What are the key properties of 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate?
2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate is sourced from PubChem (CID 155764206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).