3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol

C11H24N2O2 — CID 103353189

IUPAC3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
SMILESCCC1CCN(CC(O)CO)C(CN)C1
InChIInChI=1S/C11H24N2O2/c1-2-9-3-4-13(7-11(15)8-14)10(5-9)6-12/h9-11,14-15H,2-8,12H2,1H3
InChIKeyIXHOWVJYWYLUGY-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.21
Rot. Bonds5

About 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol

3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol (PubChem CID 103353189) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
PubChem CID103353189
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol
SMILESCCC1CCN(CC(O)CO)C(CN)C1
InChIInChI=1S/C11H24N2O2/c1-2-9-3-4-13(7-11(15)8-14)10(5-9)6-12/h9-11,14-15H,2-8,12H2,1H3
InChIKeyIXHOWVJYWYLUGY-UHFFFAOYSA-N
XLogP-0.21
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol (CID 103353189) is 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol is CCC1CCN(CC(O)CO)C(CN)C1.
What is the InChIKey of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol?
The InChIKey is IXHOWVJYWYLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-9-3-4-13(7-11(15)8-14)10(5-9)6-12/h9-11,14-15H,2-8,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol?
3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol has a molecular weight of 216.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 103353189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).