1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol

C13H28N2O2 — CID 63931587

IUPAC1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCCNCC1CCN(CC(O)COCC)CC1
InChIInChI=1S/C13H28N2O2/c1-3-14-9-12-5-7-15(8-6-12)10-13(16)11-17-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyPQUJXIWVHUINRL-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds8

About 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol

1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol (PubChem CID 63931587) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
PubChem CID63931587
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
SMILESCCNCC1CCN(CC(O)COCC)CC1
InChIInChI=1S/C13H28N2O2/c1-3-14-9-12-5-7-15(8-6-12)10-13(16)11-17-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyPQUJXIWVHUINRL-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
1-ethoxy-3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63932403
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
CID 132971163

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol (CID 63931587) is 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol is CCNCC1CCN(CC(O)COCC)CC1.
What is the InChIKey of 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is PQUJXIWVHUINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-14-9-12-5-7-15(8-6-12)10-13(16)11-17-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol?
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63931587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).