1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol

C13H27NO2 — CID 156812559

IUPAC1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol
SMILESCCCCC1CCN(CC(O)COC)CC1
InChIInChI=1S/C13H27NO2/c1-3-4-5-12-6-8-14(9-7-12)10-13(15)11-16-2/h12-13,15H,3-11H2,1-2H3
InChIKeyLZJGEVXFKRDEFJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.90
Rot. Bonds7

About 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol

1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol (PubChem CID 156812559) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol
PubChem CID156812559
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol
SMILESCCCCC1CCN(CC(O)COC)CC1
InChIInChI=1S/C13H27NO2/c1-3-4-5-12-6-8-14(9-7-12)10-13(15)11-16-2/h12-13,15H,3-11H2,1-2H3
InChIKeyLZJGEVXFKRDEFJ-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methylcyclopentyloxy)-1-piperidylpropan-2-ol
CID 16456363
1-Butyl-5-methyl-piperidine-3,4-diol
CID 44368231
1-(3,5-Dimethylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 16958190
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16958271
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 16958272
1-((2-Methylcyclopentyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 18592904
1-((2-Methylcyclopentyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18592907
1-(Tert-butoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593245
1-(Tert-butoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18593246
1-(3-Methyl-1-piperidyl)-3-(tert-pentyloxy)-2-propanol
CID 44117052
1-(3-Methylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 45283610
3-(Tert-butoxy)-1-piperidylpropan-2-ol
CID 16456248

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol (CID 156812559) is 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol is CCCCC1CCN(CC(O)COC)CC1.
What is the InChIKey of 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol?
The InChIKey is LZJGEVXFKRDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-4-5-12-6-8-14(9-7-12)10-13(15)11-16-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol?
1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylpiperidin-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 156812559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).