sodium 1,2,2,6,6-pentamethylpiperidin-4-olate

C10H20NNaO — CID 18723743

IUPACsodium 1,2,2,6,6-pentamethylpiperidin-4-olate
SMILESCN1C(C)(C)CC([O-])CC1(C)C.[Na+]
InChIInChI=1S/C10H20NO.Na/c1-9(2)6-8(12)7-10(3,4)11(9)5;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyRBTCPUMENFDKNL-UHFFFAOYSA-N
MW193.27 g/mol
LogP-2.00
Rot. Bonds

About sodium 1,2,2,6,6-pentamethylpiperidin-4-olate

sodium 1,2,2,6,6-pentamethylpiperidin-4-olate (PubChem CID 18723743) has the molecular formula C10H20NNaO and a molecular weight of 193.27 g/mol. Its IUPAC name is sodium 1,2,2,6,6-pentamethylpiperidin-4-olate.

Molecular Properties

Compound Namesodium 1,2,2,6,6-pentamethylpiperidin-4-olate
PubChem CID18723743
Molecular FormulaC10H20NNaO
Molecular Weight193.27 g/mol
Exact Mass193.14
IUPAC Namesodium 1,2,2,6,6-pentamethylpiperidin-4-olate
SMILESCN1C(C)(C)CC([O-])CC1(C)C.[Na+]
InChIInChI=1S/C10H20NO.Na/c1-9(2)6-8(12)7-10(3,4)11(9)5;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyRBTCPUMENFDKNL-UHFFFAOYSA-N
XLogP-2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2,2,6,6-pentamethylpiperidin-4-olate?
The IUPAC name of sodium 1,2,2,6,6-pentamethylpiperidin-4-olate (CID 18723743) is sodium 1,2,2,6,6-pentamethylpiperidin-4-olate.
What is the SMILES notation for sodium 1,2,2,6,6-pentamethylpiperidin-4-olate?
The canonical SMILES for sodium 1,2,2,6,6-pentamethylpiperidin-4-olate is CN1C(C)(C)CC([O-])CC1(C)C.[Na+].
What is the InChIKey of sodium 1,2,2,6,6-pentamethylpiperidin-4-olate?
The InChIKey is RBTCPUMENFDKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO.Na/c1-9(2)6-8(12)7-10(3,4)11(9)5;/h8H,6-7H2,1-5H3;/q-1;+1.
What are the key properties of sodium 1,2,2,6,6-pentamethylpiperidin-4-olate?
sodium 1,2,2,6,6-pentamethylpiperidin-4-olate has a molecular weight of 193.27 g/mol, XLogP of -2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2,2,6,6-pentamethylpiperidin-4-olate is sourced from PubChem (CID 18723743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).