4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile

C15H29N3O — CID 65251196

IUPAC4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCOCCNCC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C15H29N3O/c1-15(2,13-16)6-9-18-8-4-5-14(12-18)11-17-7-10-19-3/h14,17H,4-12H2,1-3H3
InChIKeyVISJYKMMWGZZKP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.87
Rot. Bonds8

About 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile

4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 65251196) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID65251196
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
SMILESCOCCNCC1CCCN(CCC(C)(C)C#N)C1
InChIInChI=1S/C15H29N3O/c1-15(2,13-16)6-9-18-8-4-5-14(12-18)11-17-7-10-19-3/h14,17H,4-12H2,1-3H3
InChIKeyVISJYKMMWGZZKP-UHFFFAOYSA-N
XLogP1.87
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.87
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

2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
6-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylhexanenitrile
CID 106714578
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-[1-(3-cyano-3-methylbutyl)piperidin-3-yl]acetic acid
CID 65250925
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]ethanamine
CID 62593259

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile (CID 65251196) is 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile is COCCNCC1CCCN(CCC(C)(C)C#N)C1.
What is the InChIKey of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is VISJYKMMWGZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,13-16)6-9-18-8-4-5-14(12-18)11-17-7-10-19-3/h14,17H,4-12H2,1-3H3.
What are the key properties of 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile?
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 267.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).