3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol

C10H22N2O3 — CID 82843758

IUPAC3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol
SMILESNCCOC1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H22N2O3/c11-3-6-15-10-1-4-12(5-2-10)7-9(14)8-13/h9-10,13-14H,1-8,11H2
InChIKeyLYCXJFORCXNXBE-UHFFFAOYSA-N
MW218.30 g/mol
LogP-1.22
Rot. Bonds6

About 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol

3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol (PubChem CID 82843758) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol
PubChem CID82843758
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol
SMILESNCCOC1CCN(CC(O)CO)CC1
InChIInChI=1S/C10H22N2O3/c11-3-6-15-10-1-4-12(5-2-10)7-9(14)8-13/h9-10,13-14H,1-8,11H2
InChIKeyLYCXJFORCXNXBE-UHFFFAOYSA-N
XLogP-1.22
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-aminoethoxy)piperidin-1-yl]propan-2-ol
CID 82693746
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
CID 103366429
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
CID 166234408
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
2-[1-(3-amino-2-ethoxypropyl)piperidin-4-yl]oxyethanol
CID 82695724
2-[1-(2-cyclopropylethyl)piperidin-4-yl]oxyethanamine
CID 82692525
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 82693750
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol (CID 82843758) is 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol is NCCOC1CCN(CC(O)CO)CC1.
What is the InChIKey of 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol?
The InChIKey is LYCXJFORCXNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c11-3-6-15-10-1-4-12(5-2-10)7-9(14)8-13/h9-10,13-14H,1-8,11H2.
What are the key properties of 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol?
3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol has a molecular weight of 218.30 g/mol, XLogP of -1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 82843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).