2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol

C12H25NO3 — CID 140983795

IUPAC2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol
SMILESCCOC1(C(C)C)CCCCN1OCCO
InChIInChI=1S/C12H25NO3/c1-4-15-12(11(2)3)7-5-6-8-13(12)16-10-9-14/h11,14H,4-10H2,1-3H3
InChIKeyCSAXBPOPXPBBMN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.78
Rot. Bonds6

About 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol

2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol (PubChem CID 140983795) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol
PubChem CID140983795
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol
SMILESCCOC1(C(C)C)CCCCN1OCCO
InChIInChI=1S/C12H25NO3/c1-4-15-12(11(2)3)7-5-6-8-13(12)16-10-9-14/h11,14H,4-10H2,1-3H3
InChIKeyCSAXBPOPXPBBMN-UHFFFAOYSA-N
XLogP1.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol?
The IUPAC name of 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol (CID 140983795) is 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol.
What is the SMILES notation for 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol?
The canonical SMILES for 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol is CCOC1(C(C)C)CCCCN1OCCO.
What is the InChIKey of 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol?
The InChIKey is CSAXBPOPXPBBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-15-12(11(2)3)7-5-6-8-13(12)16-10-9-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol?
2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol has a molecular weight of 231.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-propan-2-ylpiperidin-1-yl)oxyethanol is sourced from PubChem (CID 140983795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).