ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol

C13H29NO3 — CID 143334595

IUPACethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESCC.CCOC(C)CN1CCC(O)CC1CO
InChIInChI=1S/C11H23NO3.C2H6/c1-3-15-9(2)7-12-5-4-11(14)6-10(12)8-13;1-2/h9-11,13-14H,3-8H2,1-2H3;1-2H3
InChIKeyVXUZRUZAIKMPQP-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.26
Rot. Bonds5

About ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol

ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 143334595) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID143334595
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Nameethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESCC.CCOC(C)CN1CCC(O)CC1CO
InChIInChI=1S/C11H23NO3.C2H6/c1-3-15-9(2)7-12-5-4-11(14)6-10(12)8-13;1-2/h9-11,13-14H,3-8H2,1-2H3;1-2H3
InChIKeyVXUZRUZAIKMPQP-UHFFFAOYSA-N
XLogP1.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol (CID 143334595) is ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol is CC.CCOC(C)CN1CCC(O)CC1CO.
What is the InChIKey of ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is VXUZRUZAIKMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.C2H6/c1-3-15-9(2)7-12-5-4-11(14)6-10(12)8-13;1-2/h9-11,13-14H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol?
ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 143334595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).