2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate

C16H26NO2- — CID 18459640

IUPAC2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
SMILESCC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)[O-]
InChIInChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19)/p-1
InChIKeyKSAQJMKQPSIYHK-UHFFFAOYSA-M
MW264.39 g/mol
LogP2.18
Rot. Bonds2

About 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate

2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate (PubChem CID 18459640) has the molecular formula C16H26NO2- and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
PubChem CID18459640
Molecular FormulaC16H26NO2-
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate
SMILESCC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)[O-]
InChIInChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19)/p-1
InChIKeyKSAQJMKQPSIYHK-UHFFFAOYSA-M
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23342949
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CID 57132739
CID 57132739
CID 57171118
CID 57171118
CID 57928130
CID 57928130
CID 118578818
CID 118578818
CID 153143861
CID 153143861
CID 138755984
CID 138755984

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate (CID 18459640) is 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate is CC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)[O-].
What is the InChIKey of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
The InChIKey is KSAQJMKQPSIYHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19)/p-1.
What are the key properties of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate?
2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate has a molecular weight of 264.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 18459640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).