1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine

C18H38N3O2P — CID 66678177

IUPAC1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine
SMILESCC(C)(C)COP(=O)(N1CCN(C2CCNCC2)CC1)C(C)(C)C
InChIInChI=1S/C18H38N3O2P/c1-17(2,3)15-23-24(22,18(4,5)6)21-13-11-20(12-14-21)16-7-9-19-10-8-16/h16,19H,7-15H2,1-6H3
InChIKeyOEFIZIWYNLINQI-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.41
Rot. Bonds4

About 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine

1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine (PubChem CID 66678177) has the molecular formula C18H38N3O2P and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine
PubChem CID66678177
Molecular FormulaC18H38N3O2P
Molecular Weight359.50 g/mol
Exact Mass359.27
IUPAC Name1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine
SMILESCC(C)(C)COP(=O)(N1CCN(C2CCNCC2)CC1)C(C)(C)C
InChIInChI=1S/C18H38N3O2P/c1-17(2,3)15-23-24(22,18(4,5)6)21-13-11-20(12-14-21)16-7-9-19-10-8-16/h16,19H,7-15H2,1-6H3
InChIKeyOEFIZIWYNLINQI-UHFFFAOYSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine?
The IUPAC name of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine (CID 66678177) is 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine?
The canonical SMILES for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine is CC(C)(C)COP(=O)(N1CCN(C2CCNCC2)CC1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine?
The InChIKey is OEFIZIWYNLINQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N3O2P/c1-17(2,3)15-23-24(22,18(4,5)6)21-13-11-20(12-14-21)16-7-9-19-10-8-16/h16,19H,7-15H2,1-6H3.
What are the key properties of 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine?
1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine has a molecular weight of 359.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(2,2-dimethylpropoxy)phosphoryl]-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 66678177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).