4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile

C11H20N2O — CID 107225980

IUPAC4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O/c1-11(2,9-12)5-7-13-6-3-4-10(14)8-13/h10,14H,3-8H2,1-2H3/t10-/m0/s1
InChIKeySFYFVYIKXNSJTF-JTQLQIEISA-N
MW196.29 g/mol
LogP1.38
Rot. Bonds3

About 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile

4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 107225980) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID107225980
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1CCC[C@H](O)C1
InChIInChI=1S/C11H20N2O/c1-11(2,9-12)5-7-13-6-3-4-10(14)8-13/h10,14H,3-8H2,1-2H3/t10-/m0/s1
InChIKeySFYFVYIKXNSJTF-JTQLQIEISA-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

2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
1-(3-amino-3-methylbutyl)piperidin-3-ol
CID 82405665
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
2-[1-(4-cyano-4-methylpentyl)piperidin-3-yl]acetic acid
CID 65256104
2,2-dimethyl-4-(3-methylpiperazin-1-yl)butanenitrile
CID 65449779
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile (CID 107225980) is 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN1CCC[C@H](O)C1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is SFYFVYIKXNSJTF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,9-12)5-7-13-6-3-4-10(14)8-13/h10,14H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile?
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile 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 4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 107225980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).