2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile

C10H18N2O — CID 130677391

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCCC(CO)C1
InChIInChI=1S/C10H18N2O/c1-10(2,8-11)12-5-3-4-9(6-12)7-13/h9,13H,3-7H2,1-2H3
InChIKeyCCDRONUBIKGWGS-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.99
Rot. Bonds2

About 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile

2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile (PubChem CID 130677391) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile
PubChem CID130677391
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CCCC(CO)C1
InChIInChI=1S/C10H18N2O/c1-10(2,8-11)12-5-3-4-9(6-12)7-13/h9,13H,3-7H2,1-2H3
InChIKeyCCDRONUBIKGWGS-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 130668061
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
CID 130667119
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805
[3-(hydroxymethyl)piperidin-1-yl]-λ2-stannane
CID 174736400
CID 172570725
CID 172570725
(1-chloropiperidin-3-yl)methanol
CID 123689444
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile (CID 130677391) is 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile is CC(C)(C#N)N1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The InChIKey is CCDRONUBIKGWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,8-11)12-5-3-4-9(6-12)7-13/h9,13H,3-7H2,1-2H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile has a molecular weight of 182.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 130677391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).