2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile

C11H20N2O — CID 62357327

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCC(CCO)C1
InChIInChI=1S/C11H20N2O/c1-2-11(8-12)13-6-3-4-10(9-13)5-7-14/h10-11,14H,2-7,9H2,1H3
InChIKeyCKGXLBSTSPPBDP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.38
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile

2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile (PubChem CID 62357327) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
PubChem CID62357327
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCCC(CCO)C1
InChIInChI=1S/C11H20N2O/c1-2-11(8-12)13-6-3-4-10(9-13)5-7-14/h10-11,14H,2-7,9H2,1H3
InChIKeyCKGXLBSTSPPBDP-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[(3R)-3-aminopiperidin-1-yl]butanenitrile
CID 102985382
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]butanenitrile
CID 63849371
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422
2-(3-hydroxypyrrolidin-1-yl)butanenitrile
CID 62916642
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79931868
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile (CID 62357327) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile is CCC(C#N)N1CCCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile?
The InChIKey is CKGXLBSTSPPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-11(8-12)13-6-3-4-10(9-13)5-7-14/h10-11,14H,2-7,9H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile?
2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 62357327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).