3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile

C11H20N2O — CID 130802981

IUPAC3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CC(C)CC(O)C1
InChIInChI=1S/C11H20N2O/c1-3-10(4-5-12)13-7-9(2)6-11(14)8-13/h9-11,14H,3-4,6-8H2,1-2H3
InChIKeyXVLCWADKISOYRH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.38
Rot. Bonds3

About 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile

3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile (PubChem CID 130802981) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
PubChem CID130802981
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CC(C)CC(O)C1
InChIInChI=1S/C11H20N2O/c1-3-10(4-5-12)13-7-9(2)6-11(14)8-13/h9-11,14H,3-4,6-8H2,1-2H3
InChIKeyXVLCWADKISOYRH-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
CID 66056198
5-methyl-1-(4-methylpentan-2-yl)piperidin-3-ol
CID 130857038
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)pentanenitrile
CID 79579598
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
3-(4,4-diethylpiperidin-1-yl)pentanenitrile
CID 55218860
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
CID 62935700
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile (CID 130802981) is 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile is CCC(CC#N)N1CC(C)CC(O)C1.
What is the InChIKey of 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile?
The InChIKey is XVLCWADKISOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-10(4-5-12)13-7-9(2)6-11(14)8-13/h9-11,14H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile?
3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 130802981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).