3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile

C11H20N2O2 — CID 69021170

IUPAC3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(OCCCO)CC1
InChIInChI=1S/C11H20N2O2/c12-5-1-6-13-7-3-11(4-8-13)15-10-2-9-14/h11,14H,1-4,6-10H2
InChIKeyGWEDOHMFMHHHHO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.76
Rot. Bonds6

About 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile

3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile (PubChem CID 69021170) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
PubChem CID69021170
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile
SMILESN#CCCN1CCC(OCCCO)CC1
InChIInChI=1S/C11H20N2O2/c12-5-1-6-13-7-3-11(4-8-13)15-10-2-9-14/h11,14H,1-4,6-10H2
InChIKeyGWEDOHMFMHHHHO-UHFFFAOYSA-N
XLogP0.76
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
3-cyclopropyloxypropan-1-ol
CID 66696145
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
3-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]propanenitrile
CID 96926614
4-[4-(1-methylpiperidin-4-yl)oxybutoxy]butan-1-ol
CID 175636399
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
3-[4-(2-cyanoethoxy)cyclohexyl]oxypropanenitrile
CID 154323667
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile (CID 69021170) is 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile is N#CCCN1CCC(OCCCO)CC1.
What is the InChIKey of 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile?
The InChIKey is GWEDOHMFMHHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-5-1-6-13-7-3-11(4-8-13)15-10-2-9-14/h11,14H,1-4,6-10H2.
What are the key properties of 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile?
3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile has a molecular weight of 212.29 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropoxy)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 69021170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).