6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile

C17H33N3O — CID 106714578

IUPAC6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
SMILESCOCCNCC1CCN(CCCCC(C)(C)C#N)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,15-18)8-4-5-10-20-11-6-16(7-12-20)14-19-9-13-21-3/h16,19H,4-14H2,1-3H3
InChIKeyXLUVLDIMQUNZES-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.65
Rot. Bonds10

About 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile

6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile (PubChem CID 106714578) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
PubChem CID106714578
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
SMILESCOCCNCC1CCN(CCCCC(C)(C)C#N)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,15-18)8-4-5-10-20-11-6-16(7-12-20)14-19-9-13-21-3/h16,19H,4-14H2,1-3H3
InChIKeyXLUVLDIMQUNZES-UHFFFAOYSA-N
XLogP2.65
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
2,2-dimethyl-4-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butanenitrile
CID 65251983
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
CID 62591708
4-[4-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251805

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile (CID 106714578) is 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile is COCCNCC1CCN(CCCCC(C)(C)C#N)CC1.
What is the InChIKey of 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
The InChIKey is XLUVLDIMQUNZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,15-18)8-4-5-10-20-11-6-16(7-12-20)14-19-9-13-21-3/h16,19H,4-14H2,1-3H3.
What are the key properties of 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile?
6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile has a molecular weight of 295.47 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106714578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).