1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol

C12H25NO2 — CID 63931924

IUPAC1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO2/c1-4-15-10-11(14)9-13-7-5-12(2,3)6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyGCUNYPMIIGFUOL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds5

About 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol

1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol (PubChem CID 63931924) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
PubChem CID63931924
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCC(C)(C)CC1
InChIInChI=1S/C12H25NO2/c1-4-15-10-11(14)9-13-7-5-12(2,3)6-8-13/h11,14H,4-10H2,1-3H3
InChIKeyGCUNYPMIIGFUOL-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-ethoxypropan-2-ol
CID 107271968
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 63931756
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
2-(3-ethoxy-2-hydroxypropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81103665
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63932595
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-(3-butoxy-2-hydroxypropyl)-4-methylpiperidine-4-carbonitrile
CID 107263200
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol (CID 63931924) is 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol is CCOCC(O)CN1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The InChIKey is GCUNYPMIIGFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-15-10-11(14)9-13-7-5-12(2,3)6-8-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol?
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).