1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol

C14H22N2O2 — CID 175939831

IUPAC1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cccnc1OCC(O)CN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-12-6-5-7-15-14(12)18-11-13(17)10-16-8-3-2-4-9-16/h5-7,13,17H,2-4,8-11H2,1H3
InChIKeyIPKJWIJMIQZNSX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds5

About 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol

1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 175939831) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID175939831
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cccnc1OCC(O)CN1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-12-6-5-7-15-14(12)18-11-13(17)10-16-8-3-2-4-9-16/h5-7,13,17H,2-4,8-11H2,1H3
InChIKeyIPKJWIJMIQZNSX-UHFFFAOYSA-N
XLogP1.62
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 16798655
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
CID 45200033
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol (CID 175939831) is 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol is Cc1cccnc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is IPKJWIJMIQZNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-6-5-7-15-14(12)18-11-13(17)10-16-8-3-2-4-9-16/h5-7,13,17H,2-4,8-11H2,1H3.
What are the key properties of 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol?
1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)oxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 175939831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).