(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate

C12H26NO4P — CID 69301568

IUPAC(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
SMILESCCCN1C(C)(C)CC(OP(=O)(O)O)CC1(C)C
InChIInChI=1S/C12H26NO4P/c1-6-7-13-11(2,3)8-10(9-12(13,4)5)17-18(14,15)16/h10H,6-9H2,1-5H3,(H2,14,15,16)
InChIKeyILCPPHSPYANRAL-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.53
Rot. Bonds4

About (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate

(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate (PubChem CID 69301568) has the molecular formula C12H26NO4P and a molecular weight of 279.32 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
PubChem CID69301568
Molecular FormulaC12H26NO4P
Molecular Weight279.32 g/mol
Exact Mass279.16
IUPAC Name(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
SMILESCCCN1C(C)(C)CC(OP(=O)(O)O)CC1(C)C
InChIInChI=1S/C12H26NO4P/c1-6-7-13-11(2,3)8-10(9-12(13,4)5)17-18(14,15)16/h10H,6-9H2,1-5H3,(H2,14,15,16)
InChIKeyILCPPHSPYANRAL-UHFFFAOYSA-N
XLogP2.53
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
CID 123385919
2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
CID 152521875
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate
CID 145189321
2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 174827050
1-hydroxy-4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-methylphosphoryl]oxy-2,2,6,6-tetramethylpiperidine
CID 58825118
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) (E)-but-2-enoate
CID 139832038
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
(1-hydroxy-2,2,6-trimethyl-6-oxidopiperidin-4-yl)oxy-methylphosphinate
CID 140879136
bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
CID 88768078

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate?
The IUPAC name of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate (CID 69301568) is (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate is CCCN1C(C)(C)CC(OP(=O)(O)O)CC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate?
The InChIKey is ILCPPHSPYANRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO4P/c1-6-7-13-11(2,3)8-10(9-12(13,4)5)17-18(14,15)16/h10H,6-9H2,1-5H3,(H2,14,15,16).
What are the key properties of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate?
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate has a molecular weight of 279.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate is sourced from PubChem (CID 69301568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).