1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine

C15H26N2O — CID 173450291

IUPAC1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCOC2=CC=CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-4,7H,2,5-6,8-14H2,1H3
InChIKeyIGULXKKBKGRVMO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds6

About 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine

1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine (PubChem CID 173450291) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine
PubChem CID173450291
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine
SMILESCCN1CCN(CCCOC2=CC=CCC2)CC1
InChIInChI=1S/C15H26N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-4,7H,2,5-6,8-14H2,1H3
InChIKeyIGULXKKBKGRVMO-UHFFFAOYSA-N
XLogP2.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine?
The IUPAC name of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine (CID 173450291) is 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine?
The canonical SMILES for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine is CCN1CCN(CCCOC2=CC=CCC2)CC1.
What is the InChIKey of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine?
The InChIKey is IGULXKKBKGRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-16-10-12-17(13-11-16)9-6-14-18-15-7-4-3-5-8-15/h3-4,7H,2,5-6,8-14H2,1H3.
What are the key properties of 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine?
1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine is sourced from PubChem (CID 173450291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).