3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol

C10H22N2O2 — CID 104710860

IUPAC3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCN(C(CN)CO)CC1
InChIInChI=1S/C10H22N2O2/c1-2-14-10-3-5-12(6-4-10)9(7-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeySWIYQUDCFBVWRU-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.19
Rot. Bonds5

About 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol

3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol (PubChem CID 104710860) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
PubChem CID104710860
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCN(C(CN)CO)CC1
InChIInChI=1S/C10H22N2O2/c1-2-14-10-3-5-12(6-4-10)9(7-11)8-13/h9-10,13H,2-8,11H2,1H3
InChIKeySWIYQUDCFBVWRU-UHFFFAOYSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol (CID 104710860) is 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol is CCOC1CCN(C(CN)CO)CC1.
What is the InChIKey of 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol?
The InChIKey is SWIYQUDCFBVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-2-14-10-3-5-12(6-4-10)9(7-11)8-13/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol?
3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 104710860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).