1,4-bis(4-methoxybut-2-ynyl)piperazine

C14H22N2O2 — CID 135028250

IUPAC1,4-bis(4-methoxybut-2-ynyl)piperazine
SMILESCOCC#CCN1CCN(CC#CCOC)CC1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-18-2/h7-14H2,1-2H3
InChIKeyXHVBDSSTENHGIQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.10
Rot. Bonds4

About 1,4-bis(4-methoxybut-2-ynyl)piperazine

1,4-bis(4-methoxybut-2-ynyl)piperazine (PubChem CID 135028250) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,4-bis(4-methoxybut-2-ynyl)piperazine.

Molecular Properties

Compound Name1,4-bis(4-methoxybut-2-ynyl)piperazine
PubChem CID135028250
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,4-bis(4-methoxybut-2-ynyl)piperazine
SMILESCOCC#CCN1CCN(CC#CCOC)CC1
InChIInChI=1S/C14H22N2O2/c1-17-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-18-2/h7-14H2,1-2H3
InChIKeyXHVBDSSTENHGIQ-UHFFFAOYSA-N
XLogP-0.10
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methoxybut-2-ynyl)piperazine?
The IUPAC name of 1,4-bis(4-methoxybut-2-ynyl)piperazine (CID 135028250) is 1,4-bis(4-methoxybut-2-ynyl)piperazine.
What is the SMILES notation for 1,4-bis(4-methoxybut-2-ynyl)piperazine?
The canonical SMILES for 1,4-bis(4-methoxybut-2-ynyl)piperazine is COCC#CCN1CCN(CC#CCOC)CC1.
What is the InChIKey of 1,4-bis(4-methoxybut-2-ynyl)piperazine?
The InChIKey is XHVBDSSTENHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-13-5-3-7-15-9-11-16(12-10-15)8-4-6-14-18-2/h7-14H2,1-2H3.
What are the key properties of 1,4-bis(4-methoxybut-2-ynyl)piperazine?
1,4-bis(4-methoxybut-2-ynyl)piperazine has a molecular weight of 250.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methoxybut-2-ynyl)piperazine is sourced from PubChem (CID 135028250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).