N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine

C16H28N4O — CID 62569653

IUPACN-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCOCCNCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4O/c1-21-15-9-17-7-4-5-10-19-11-13-20(14-12-19)16-6-2-3-8-18-16/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChIKeyHELOJGUTGOTVAW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.22
Rot. Bonds9

About N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine

N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 62569653) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID62569653
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCOCCNCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4O/c1-21-15-9-17-7-4-5-10-19-11-13-20(14-12-19)16-6-2-3-8-18-16/h2-3,6,8,17H,4-5,7,9-15H2,1H3
InChIKeyHELOJGUTGOTVAW-UHFFFAOYSA-N
XLogP1.22
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine (CID 62569653) is N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine is COCCNCCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is HELOJGUTGOTVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-21-15-9-17-7-4-5-10-19-11-13-20(14-12-19)16-6-2-3-8-18-16/h2-3,6,8,17H,4-5,7,9-15H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62569653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).