2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine

C16H33N3 — CID 95559180

IUPAC2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine
SMILESCC1(C)CC(N2CCC[C@H](CCN)C2)CC(C)(C)N1
InChIInChI=1S/C16H33N3/c1-15(2)10-14(11-16(3,4)18-15)19-9-5-6-13(12-19)7-8-17/h13-14,18H,5-12,17H2,1-4H3/t13-/m1/s1
InChIKeyZZSXGQNNYKRAIM-CYBMUJFWSA-N
MW267.46 g/mol
LogP2.36
Rot. Bonds3

About 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine

2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 95559180) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID95559180
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine
SMILESCC1(C)CC(N2CCC[C@H](CCN)C2)CC(C)(C)N1
InChIInChI=1S/C16H33N3/c1-15(2)10-14(11-16(3,4)18-15)19-9-5-6-13(12-19)7-8-17/h13-14,18H,5-12,17H2,1-4H3/t13-/m1/s1
InChIKeyZZSXGQNNYKRAIM-CYBMUJFWSA-N
XLogP2.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine (CID 95559180) is 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine is CC1(C)CC(N2CCC[C@H](CCN)C2)CC(C)(C)N1.
What is the InChIKey of 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is ZZSXGQNNYKRAIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2)10-14(11-16(3,4)18-15)19-9-5-6-13(12-19)7-8-17/h13-14,18H,5-12,17H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine?
2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 95559180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).