5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine

C22H39N3 — CID 4104336

IUPAC5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine
SMILESCC1(C)CC(N2CCCCC2)=C/C(=N\C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C22H39N3/c1-20(2)13-17(12-19(16-20)25-10-8-7-9-11-25)23-18-14-21(3,4)24-22(5,6)15-18/h12,18,24H,7-11,13-16H2,1-6H3/b23-17+
InChIKeyKZKALSHLGZXGHK-HAVVHWLPSA-N
MW345.58 g/mol
LogP4.93
Rot. Bonds2

About 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine

5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine (PubChem CID 4104336) has the molecular formula C22H39N3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine
PubChem CID4104336
Molecular FormulaC22H39N3
Molecular Weight345.58 g/mol
Exact Mass345.31
IUPAC Name5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine
SMILESCC1(C)CC(N2CCCCC2)=C/C(=N\C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C22H39N3/c1-20(2)13-17(12-19(16-20)25-10-8-7-9-11-25)23-18-14-21(3,4)24-22(5,6)15-18/h12,18,24H,7-11,13-16H2,1-6H3/b23-17+
InChIKeyKZKALSHLGZXGHK-HAVVHWLPSA-N
XLogP4.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine?
The IUPAC name of 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine (CID 4104336) is 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine is CC1(C)CC(N2CCCCC2)=C/C(=N\C2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine?
The InChIKey is KZKALSHLGZXGHK-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H39N3/c1-20(2)13-17(12-19(16-20)25-10-8-7-9-11-25)23-18-14-21(3,4)24-22(5,6)15-18/h12,18,24H,7-11,13-16H2,1-6H3/b23-17+.
What are the key properties of 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine?
5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine has a molecular weight of 345.58 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-piperidin-1-yl-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 4104336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).