2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine

C13H25N3O2 — CID 174433432

IUPAC2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine
SMILESCC1(C)CCC(CCN=O)C(C)(C)N1CCN=O
InChIInChI=1S/C13H25N3O2/c1-12(2)7-5-11(6-8-14-17)13(3,4)16(12)10-9-15-18/h11H,5-10H2,1-4H3
InChIKeyTZDKRFXVIHISLX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds6

About 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine

2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine (PubChem CID 174433432) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine
PubChem CID174433432
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine
SMILESCC1(C)CCC(CCN=O)C(C)(C)N1CCN=O
InChIInChI=1S/C13H25N3O2/c1-12(2)7-5-11(6-8-14-17)13(3,4)16(12)10-9-15-18/h11H,5-10H2,1-4H3
InChIKeyTZDKRFXVIHISLX-UHFFFAOYSA-N
XLogP3.18
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine (CID 174433432) is 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine is CC1(C)CCC(CCN=O)C(C)(C)N1CCN=O.
What is the InChIKey of 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine?
The InChIKey is TZDKRFXVIHISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2)7-5-11(6-8-14-17)13(3,4)16(12)10-9-15-18/h11H,5-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine?
2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine has a molecular weight of 255.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine is sourced from PubChem (CID 174433432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).