2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine

C14H23N3 — CID 80633426

IUPAC2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CC(C)CN(c2ccc(CCN)cn2)C1
InChIInChI=1S/C14H23N3/c1-11-7-12(2)10-17(9-11)14-4-3-13(5-6-15)8-16-14/h3-4,8,11-12H,5-7,9-10,15H2,1-2H3
InChIKeyCVEXENYBCNDLCT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.07
Rot. Bonds3

About 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine

2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80633426) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80633426
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
SMILESCC1CC(C)CN(c2ccc(CCN)cn2)C1
InChIInChI=1S/C14H23N3/c1-11-7-12(2)10-17(9-11)14-4-3-13(5-6-15)8-16-14/h3-4,8,11-12H,5-7,9-10,15H2,1-2H3
InChIKeyCVEXENYBCNDLCT-UHFFFAOYSA-N
XLogP2.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine (CID 80633426) is 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine is CC1CC(C)CN(c2ccc(CCN)cn2)C1.
What is the InChIKey of 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is CVEXENYBCNDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-7-12(2)10-17(9-11)14-4-3-13(5-6-15)8-16-14/h3-4,8,11-12H,5-7,9-10,15H2,1-2H3.
What are the key properties of 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine?
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80633426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).