2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile

C11H21N3O — CID 106588532

IUPAC2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
SMILESCOCC1CCCN(CC(C)(N)C#N)C1
InChIInChI=1S/C11H21N3O/c1-11(13,8-12)9-14-5-3-4-10(6-14)7-15-2/h10H,3-7,9,13H2,1-2H3
InChIKeyZBDIWMVCCKIVLH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.59
Rot. Bonds4

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

2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile (PubChem CID 106588532) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
PubChem CID106588532
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
SMILESCOCC1CCCN(CC(C)(N)C#N)C1
InChIInChI=1S/C11H21N3O/c1-11(13,8-12)9-14-5-3-4-10(6-14)7-15-2/h10H,3-7,9,13H2,1-2H3
InChIKeyZBDIWMVCCKIVLH-UHFFFAOYSA-N
XLogP0.59
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 106588528
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 64810845
2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175534
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentanoic acid
CID 106589084
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile (CID 106588532) is 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile is COCC1CCCN(CC(C)(N)C#N)C1.
What is the InChIKey of 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
The InChIKey is ZBDIWMVCCKIVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(13,8-12)9-14-5-3-4-10(6-14)7-15-2/h10H,3-7,9,13H2,1-2H3.
What are the key properties of 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile?
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 106588532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).