5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile

C14H27N3O — CID 63855313

IUPAC5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCOCCNCC1CCCCN1CCCCC#N
InChIInChI=1S/C14H27N3O/c1-18-12-9-16-13-14-7-3-6-11-17(14)10-5-2-4-8-15/h14,16H,2-7,9-13H2,1H3
InChIKeyHCLDZPSWPAAOJH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds9

About 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile

5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile (PubChem CID 63855313) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
PubChem CID63855313
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
SMILESCOCCNCC1CCCCN1CCCCC#N
InChIInChI=1S/C14H27N3O/c1-18-12-9-16-13-14-7-3-6-11-17(14)10-5-2-4-8-15/h14,16H,2-7,9-13H2,1H3
InChIKeyHCLDZPSWPAAOJH-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
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

N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
CID 63853747
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-(2-ethylbutyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 82924579
N-(2-methoxyethyl)-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061940
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile (CID 63855313) is 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile is COCCNCC1CCCCN1CCCCC#N.
What is the InChIKey of 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile?
The InChIKey is HCLDZPSWPAAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-18-12-9-16-13-14-7-3-6-11-17(14)10-5-2-4-8-15/h14,16H,2-7,9-13H2,1H3.
What are the key properties of 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile?
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 63855313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).