3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol

C11H24N2O2 — CID 66176759

IUPAC3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)C1CCCN(C)C1
InChIInChI=1S/C11H24N2O2/c1-9(12-6-11(15)8-14)10-4-3-5-13(2)7-10/h9-12,14-15H,3-8H2,1-2H3
InChIKeyHJEAPCORVXTZCB-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.34
Rot. Bonds5

About 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol

3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol (PubChem CID 66176759) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
PubChem CID66176759
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)C1CCCN(C)C1
InChIInChI=1S/C11H24N2O2/c1-9(12-6-11(15)8-14)10-4-3-5-13(2)7-10/h9-12,14-15H,3-8H2,1-2H3
InChIKeyHJEAPCORVXTZCB-UHFFFAOYSA-N
XLogP-0.34
TPSA55.73 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 ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
2-(ethylamino)-2-(1-methylpiperidin-3-yl)ethanol
CID 116859371
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol (CID 66176759) is 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)C1CCCN(C)C1.
What is the InChIKey of 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol?
The InChIKey is HJEAPCORVXTZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(12-6-11(15)8-14)10-4-3-5-13(2)7-10/h9-12,14-15H,3-8H2,1-2H3.
What are the key properties of 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol?
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol has a molecular weight of 216.32 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66176759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).