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

C15H20N2O2 — CID 43288772

IUPAC2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
SMILESN#Cc1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C15H20N2O2/c16-10-13-6-2-3-7-15(13)19-12-14(18)11-17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-9,11-12H2
InChIKeyFGERZERZGJEMGM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds5

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

2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile (PubChem CID 43288772) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
PubChem CID43288772
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
SMILESN#Cc1ccccc1OCC(O)CN1CCCCC1
InChIInChI=1S/C15H20N2O2/c16-10-13-6-2-3-7-15(13)19-12-14(18)11-17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-9,11-12H2
InChIKeyFGERZERZGJEMGM-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

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Related Compounds

2-[3-(4-ethyl-1,4-diazepan-1-yl)-2-hydroxypropoxy]benzonitrile
CID 126815230
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
2-[2-hydroxy-3-(5-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 63003932
2-[2-hydroxy-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propoxy]benzonitrile
CID 66391718
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
2-[3-(3,4-dimethylpiperazin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 63608981
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
2-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 14574910
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The IUPAC name of 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile (CID 43288772) is 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile.
What is the SMILES notation for 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The canonical SMILES for 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile is N#Cc1ccccc1OCC(O)CN1CCCCC1.
What is the InChIKey of 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
The InChIKey is FGERZERZGJEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-10-13-6-2-3-7-15(13)19-12-14(18)11-17-8-4-1-5-9-17/h2-3,6-7,14,18H,1,4-5,8-9,11-12H2.
What are the key properties of 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile?
2-(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 2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile is sourced from PubChem (CID 43288772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).