1-hydroxy-2,2,4,6,6-pentamethylpiperazine

C9H20N2O — CID 126542485

IUPAC1-hydroxy-2,2,4,6,6-pentamethylpiperazine
SMILESCN1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)6-10(5)7-9(3,4)11(8)12/h12H,6-7H2,1-5H3
InChIKeyPNQAYRMDVUDYBT-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.18
Rot. Bonds

About 1-hydroxy-2,2,4,6,6-pentamethylpiperazine

1-hydroxy-2,2,4,6,6-pentamethylpiperazine (PubChem CID 126542485) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,6,6-pentamethylpiperazine.

Molecular Properties

Compound Name1-hydroxy-2,2,4,6,6-pentamethylpiperazine
PubChem CID126542485
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-hydroxy-2,2,4,6,6-pentamethylpiperazine
SMILESCN1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C9H20N2O/c1-8(2)6-10(5)7-9(3,4)11(8)12/h12H,6-7H2,1-5H3
InChIKeyPNQAYRMDVUDYBT-UHFFFAOYSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethylpiperazine?
The IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethylpiperazine (CID 126542485) is 1-hydroxy-2,2,4,6,6-pentamethylpiperazine.
What is the SMILES notation for 1-hydroxy-2,2,4,6,6-pentamethylpiperazine?
The canonical SMILES for 1-hydroxy-2,2,4,6,6-pentamethylpiperazine is CN1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-2,2,4,6,6-pentamethylpiperazine?
The InChIKey is PNQAYRMDVUDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)6-10(5)7-9(3,4)11(8)12/h12H,6-7H2,1-5H3.
What are the key properties of 1-hydroxy-2,2,4,6,6-pentamethylpiperazine?
1-hydroxy-2,2,4,6,6-pentamethylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,6,6-pentamethylpiperazine is sourced from PubChem (CID 126542485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).