3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile

C15H20N2O2 — CID 43288773

IUPAC3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
SMILESN#Cc1cccc(OCC(O)CN2CCCCC2)c1
InChIInChI=1S/C15H20N2O2/c16-10-13-5-4-6-15(9-13)19-12-14(18)11-17-7-2-1-3-8-17/h4-6,9,14,18H,1-3,7-8,11-12H2
InChIKeyLCSXNYLMMTWRAB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds5

About 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile

3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile (PubChem CID 43288773) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
PubChem CID43288773
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
SMILESN#Cc1cccc(OCC(O)CN2CCCCC2)c1
InChIInChI=1S/C15H20N2O2/c16-10-13-5-4-6-15(9-13)19-12-14(18)11-17-7-2-1-3-8-17/h4-6,9,14,18H,1-3,7-8,11-12H2
InChIKeyLCSXNYLMMTWRAB-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-hydroxy-3-(4-methyl-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 43288850
3-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)benzonitrile
CID 43288860
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
3-[3-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 62936389
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
3-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-hydroxypropoxy]benzonitrile
CID 115559886
3-[2-hydroxy-3-(2-pyrrolidin-1-ylethylamino)propoxy]benzonitrile
CID 62640687
3-[2-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 64598108
3-[(2S)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzonitrile
CID 53464112
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
3-[3-(azepan-1-yl)-2-hydroxypropoxy]benzenecarbothioamide
CID 43290259

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The IUPAC name of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile (CID 43288773) is 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile.
What is the SMILES notation for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The canonical SMILES for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile is N#Cc1cccc(OCC(O)CN2CCCCC2)c1.
What is the InChIKey of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The InChIKey is LCSXNYLMMTWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-10-13-5-4-6-15(9-13)19-12-14(18)11-17-7-2-1-3-8-17/h4-6,9,14,18H,1-3,7-8,11-12H2.
What are the key properties of 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile is sourced from PubChem (CID 43288773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).