1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine

C14H30N2O2 — CID 103414044

IUPAC1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
SMILESCOCCOCCCN1CCNC(CC(C)C)C1
InChIInChI=1S/C14H30N2O2/c1-13(2)11-14-12-16(7-5-15-14)6-4-8-18-10-9-17-3/h13-15H,4-12H2,1-3H3
InChIKeyYXVBGVJLHJRTIZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.36
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine

1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine (PubChem CID 103414044) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
PubChem CID103414044
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
SMILESCOCCOCCCN1CCNC(CC(C)C)C1
InChIInChI=1S/C14H30N2O2/c1-13(2)11-14-12-16(7-5-15-14)6-4-8-18-10-9-17-3/h13-15H,4-12H2,1-3H3
InChIKeyYXVBGVJLHJRTIZ-UHFFFAOYSA-N
XLogP1.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.36
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

1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)-1,4-diazepane
CID 103414477
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
1-hexyl-3-(2-methylpropyl)piperazine
CID 64834623
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
1-[2-(2,2-difluoroethoxy)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114127986
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
CID 103414050
1-(3-fluoropropyl)-3-(2-methylpropyl)-1,4-diazepane
CID 81113598
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine (CID 103414044) is 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine is COCCOCCCN1CCNC(CC(C)C)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine?
The InChIKey is YXVBGVJLHJRTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)11-14-12-16(7-5-15-14)6-4-8-18-10-9-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine?
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 103414044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).