1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol

C13H27NO2 — CID 163032585

IUPAC1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
SMILESCCC(O)CC1CCCC(CC(C)O)N1C
InChIInChI=1S/C13H27NO2/c1-4-13(16)9-12-7-5-6-11(14(12)3)8-10(2)15/h10-13,15-16H,4-9H2,1-3H3
InChIKeyAABJNGWHRMRAFV-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.77
Rot. Bonds5

About 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol

1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol (PubChem CID 163032585) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
PubChem CID163032585
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol
SMILESCCC(O)CC1CCCC(CC(C)O)N1C
InChIInChI=1S/C13H27NO2/c1-4-13(16)9-12-7-5-6-11(14(12)3)8-10(2)15/h10-13,15-16H,4-9H2,1-3H3
InChIKeyAABJNGWHRMRAFV-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol (CID 163032585) is 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol is CCC(O)CC1CCCC(CC(C)O)N1C.
What is the InChIKey of 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol?
The InChIKey is AABJNGWHRMRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(16)9-12-7-5-6-11(14(12)3)8-10(2)15/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol?
1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropyl)-1-methylpiperidin-2-yl]butan-2-ol is sourced from PubChem (CID 163032585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).