1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol

C14H29NO2 — CID 126514523

IUPAC1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCC(C(C)CC)CC1
InChIInChI=1S/C14H29NO2/c1-4-12(3)13-6-8-15(9-7-13)10-14(16)11-17-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyFQYKJTUJVITSHA-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.14
Rot. Bonds7

About 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol

1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol (PubChem CID 126514523) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
PubChem CID126514523
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCC(C(C)CC)CC1
InChIInChI=1S/C14H29NO2/c1-4-12(3)13-6-8-15(9-7-13)10-14(16)11-17-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyFQYKJTUJVITSHA-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-ethoxy-3-[4-(propylamino)piperidin-1-yl]propan-2-ol
CID 63932707
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
1-ethoxy-3-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)propan-2-ol
CID 132971163
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol (CID 126514523) is 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol is CCOCC(O)CN1CCC(C(C)CC)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol?
The InChIKey is FQYKJTUJVITSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-12(3)13-6-8-15(9-7-13)10-14(16)11-17-5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol?
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol is sourced from PubChem (CID 126514523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).