3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal

C18H32N2O5 — CID 155743004

IUPAC3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal
SMILESC#CCN1CCN(CCOCCOCCOCCOCCC=O)CC1
InChIInChI=1S/C18H32N2O5/c1-2-4-19-5-7-20(8-6-19)9-12-23-14-16-25-18-17-24-15-13-22-11-3-10-21/h1,10H,3-9,11-18H2
InChIKeyOUQQYTSJDDOMBZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP-0.11
Rot. Bonds16

About 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal (PubChem CID 155743004) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal
PubChem CID155743004
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal
SMILESC#CCN1CCN(CCOCCOCCOCCOCCC=O)CC1
InChIInChI=1S/C18H32N2O5/c1-2-4-19-5-7-20(8-6-19)9-12-23-14-16-25-18-17-24-15-13-22-11-3-10-21/h1,10H,3-9,11-18H2
InChIKeyOUQQYTSJDDOMBZ-UHFFFAOYSA-N
XLogP-0.11
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The IUPAC name of 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal (CID 155743004) is 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal.
What is the SMILES notation for 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The canonical SMILES for 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal is C#CCN1CCN(CCOCCOCCOCCOCCC=O)CC1.
What is the InChIKey of 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The InChIKey is OUQQYTSJDDOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-2-4-19-5-7-20(8-6-19)9-12-23-14-16-25-18-17-24-15-13-22-11-3-10-21/h1,10H,3-9,11-18H2.
What are the key properties of 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 356.46 g/mol, XLogP of -0.11, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 155743004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).