2-hydroxy-5-piperidin-3-ylbenzonitrile

C12H14N2O — CID 84776785

IUPAC2-hydroxy-5-piperidin-3-ylbenzonitrile
SMILESN#Cc1cc(C2CCCNC2)ccc1O
InChIInChI=1S/C12H14N2O/c13-7-11-6-9(3-4-12(11)15)10-2-1-5-14-8-10/h3-4,6,10,14-15H,1-2,5,8H2
InChIKeyFXSOMLRHLBZROU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds1

About 2-hydroxy-5-piperidin-3-ylbenzonitrile

2-hydroxy-5-piperidin-3-ylbenzonitrile (PubChem CID 84776785) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-hydroxy-5-piperidin-3-ylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-piperidin-3-ylbenzonitrile
PubChem CID84776785
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-hydroxy-5-piperidin-3-ylbenzonitrile
SMILESN#Cc1cc(C2CCCNC2)ccc1O
InChIInChI=1S/C12H14N2O/c13-7-11-6-9(3-4-12(11)15)10-2-1-5-14-8-10/h3-4,6,10,14-15H,1-2,5,8H2
InChIKeyFXSOMLRHLBZROU-UHFFFAOYSA-N
XLogP1.73
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
CID 77131425
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-methyl-4-piperidin-3-ylphenol
CID 84663479
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
5-methyl-2-pyrrolidin-3-ylbenzonitrile
CID 130002472
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-piperidin-3-ylbenzonitrile?
The IUPAC name of 2-hydroxy-5-piperidin-3-ylbenzonitrile (CID 84776785) is 2-hydroxy-5-piperidin-3-ylbenzonitrile.
What is the SMILES notation for 2-hydroxy-5-piperidin-3-ylbenzonitrile?
The canonical SMILES for 2-hydroxy-5-piperidin-3-ylbenzonitrile is N#Cc1cc(C2CCCNC2)ccc1O.
What is the InChIKey of 2-hydroxy-5-piperidin-3-ylbenzonitrile?
The InChIKey is FXSOMLRHLBZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-7-11-6-9(3-4-12(11)15)10-2-1-5-14-8-10/h3-4,6,10,14-15H,1-2,5,8H2.
What are the key properties of 2-hydroxy-5-piperidin-3-ylbenzonitrile?
2-hydroxy-5-piperidin-3-ylbenzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-piperidin-3-ylbenzonitrile is sourced from PubChem (CID 84776785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).