1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine

C17H26N2O2 — CID 14960326

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3
InChIKeyIRVZHMBTAZCKFA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine (PubChem CID 14960326) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine
PubChem CID14960326
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3
InChIKeyIRVZHMBTAZCKFA-UHFFFAOYSA-N
XLogP2.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine (CID 14960326) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine is CCCCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine?
The InChIKey is IRVZHMBTAZCKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pentylpiperazine is sourced from PubChem (CID 14960326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).