2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine

C14H29N3 — CID 165486393

IUPAC2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
SMILESCC1CCCC(C)N1C1CCN(CCN)CC1
InChIInChI=1S/C14H29N3/c1-12-4-3-5-13(2)17(12)14-6-9-16(10-7-14)11-8-15/h12-14H,3-11,15H2,1-2H3
InChIKeyZRQBTHOPOFZPSQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.67
Rot. Bonds3

About 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine

2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine (PubChem CID 165486393) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
PubChem CID165486393
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine
SMILESCC1CCCC(C)N1C1CCN(CCN)CC1
InChIInChI=1S/C14H29N3/c1-12-4-3-5-13(2)17(12)14-6-9-16(10-7-14)11-8-15/h12-14H,3-11,15H2,1-2H3
InChIKeyZRQBTHOPOFZPSQ-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine (CID 165486393) is 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine is CC1CCCC(C)N1C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine?
The InChIKey is ZRQBTHOPOFZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12-4-3-5-13(2)17(12)14-6-9-16(10-7-14)11-8-15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine?
2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylpiperidin-1-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 165486393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).