N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine

C18H40N3OP — CID 19609101

IUPACN-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OC1CC(C)(C)N(C)C(C)(C)C1)N(CC)CC
InChIInChI=1S/C18H40N3OP/c1-10-20(11-2)23(21(12-3)13-4)22-16-14-17(5,6)19(9)18(7,8)15-16/h16H,10-15H2,1-9H3
InChIKeyHMKVXZHUKUOSEC-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.56
Rot. Bonds8

About N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine

N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine (PubChem CID 19609101) has the molecular formula C18H40N3OP and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine
PubChem CID19609101
Molecular FormulaC18H40N3OP
Molecular Weight345.51 g/mol
Exact Mass345.29
IUPAC NameN-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OC1CC(C)(C)N(C)C(C)(C)C1)N(CC)CC
InChIInChI=1S/C18H40N3OP/c1-10-20(11-2)23(21(12-3)13-4)22-16-14-17(5,6)19(9)18(7,8)15-16/h16H,10-15H2,1-9H3
InChIKeyHMKVXZHUKUOSEC-UHFFFAOYSA-N
XLogP4.56
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.56
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 N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine (CID 19609101) is N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine is CCN(CC)P(OC1CC(C)(C)N(C)C(C)(C)C1)N(CC)CC.
What is the InChIKey of N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine?
The InChIKey is HMKVXZHUKUOSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N3OP/c1-10-20(11-2)23(21(12-3)13-4)22-16-14-17(5,6)19(9)18(7,8)15-16/h16H,10-15H2,1-9H3.
What are the key properties of N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine?
N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine has a molecular weight of 345.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyphosphanyl]-N-ethylethanamine is sourced from PubChem (CID 19609101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).