ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol

C12H26N2O3 — CID 91464394

IUPACethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol
SMILESCCNC1CCN(C(O)OCC)CC1OCC
InChIInChI=1S/C12H26N2O3/c1-4-13-10-7-8-14(12(15)17-6-3)9-11(10)16-5-2/h10-13,15H,4-9H2,1-3H3
InChIKeySDBAVDZHWMSOOS-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.39
Rot. Bonds7

About ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol

ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol (PubChem CID 91464394) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol.

Molecular Properties

Compound Nameethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol
PubChem CID91464394
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nameethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol
SMILESCCNC1CCN(C(O)OCC)CC1OCC
InChIInChI=1S/C12H26N2O3/c1-4-13-10-7-8-14(12(15)17-6-3)9-11(10)16-5-2/h10-13,15H,4-9H2,1-3H3
InChIKeySDBAVDZHWMSOOS-UHFFFAOYSA-N
XLogP0.39
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol?
The IUPAC name of ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol (CID 91464394) is ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol.
What is the SMILES notation for ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol?
The canonical SMILES for ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol is CCNC1CCN(C(O)OCC)CC1OCC.
What is the InChIKey of ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol?
The InChIKey is SDBAVDZHWMSOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-13-10-7-8-14(12(15)17-6-3)9-11(10)16-5-2/h10-13,15H,4-9H2,1-3H3.
What are the key properties of ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol?
ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-ethoxy-4-(ethylamino)piperidin-1-yl]methanol is sourced from PubChem (CID 91464394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).