2-(3-hydroxypiperidin-3-yl)propanenitrile

C8H14N2O — CID 79130548

IUPAC2-(3-hydroxypiperidin-3-yl)propanenitrile
SMILESCC(C#N)C1(O)CCCNC1
InChIInChI=1S/C8H14N2O/c1-7(5-9)8(11)3-2-4-10-6-8/h7,10-11H,2-4,6H2,1H3
InChIKeyMVCSSAPZJSWYRJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.26
Rot. Bonds1

About 2-(3-hydroxypiperidin-3-yl)propanenitrile

2-(3-hydroxypiperidin-3-yl)propanenitrile (PubChem CID 79130548) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-3-yl)propanenitrile
PubChem CID79130548
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-hydroxypiperidin-3-yl)propanenitrile
SMILESCC(C#N)C1(O)CCCNC1
InChIInChI=1S/C8H14N2O/c1-7(5-9)8(11)3-2-4-10-6-8/h7,10-11H,2-4,6H2,1H3
InChIKeyMVCSSAPZJSWYRJ-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-3,3-dimethylcyclohexyl)propanenitrile
CID 79132289
2-(1-hydroxy-4,4-dimethylcyclohexyl)propanenitrile
CID 79132400
3-(1-aminobutyl)piperidin-3-ol
CID 82411763
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
2-(1-hydroxy-3,4-dimethylcyclohexyl)propanenitrile
CID 79131410
2-(1-hydroxycycloheptyl)butanenitrile
CID 79129702
3-aminopiperidine-3-carbonitrile
CID 79303333
N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63131813
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
3-(2-methylprop-1-enyl)piperidin-3-ol
CID 79190008
but-2-yne;cyclohexane;3,3-difluoropiperidine
CID 144886146

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-3-yl)propanenitrile?
The IUPAC name of 2-(3-hydroxypiperidin-3-yl)propanenitrile (CID 79130548) is 2-(3-hydroxypiperidin-3-yl)propanenitrile.
What is the SMILES notation for 2-(3-hydroxypiperidin-3-yl)propanenitrile?
The canonical SMILES for 2-(3-hydroxypiperidin-3-yl)propanenitrile is CC(C#N)C1(O)CCCNC1.
What is the InChIKey of 2-(3-hydroxypiperidin-3-yl)propanenitrile?
The InChIKey is MVCSSAPZJSWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(5-9)8(11)3-2-4-10-6-8/h7,10-11H,2-4,6H2,1H3.
What are the key properties of 2-(3-hydroxypiperidin-3-yl)propanenitrile?
2-(3-hydroxypiperidin-3-yl)propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-3-yl)propanenitrile is sourced from PubChem (CID 79130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).