1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine

C15H23N3O — CID 116939919

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23N3O/c16-14(3-7-18-8-5-17-6-9-18)12-1-2-15-13(11-12)4-10-19-15/h1-2,11,14,17H,3-10,16H2
InChIKeyRBJVXCPKCOEWAK-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.92
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116939919) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116939919
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine
SMILESNC(CCN1CCNCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23N3O/c16-14(3-7-18-8-5-17-6-9-18)12-1-2-15-13(11-12)4-10-19-15/h1-2,11,14,17H,3-10,16H2
InChIKeyRBJVXCPKCOEWAK-UHFFFAOYSA-N
XLogP0.92
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine
CID 96840191
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethyl]piperazine
CID 171181795
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
1-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperazine;dihydrochloride
CID 171275729

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine (CID 116939919) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine is NC(CCN1CCNCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is RBJVXCPKCOEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-14(3-7-18-8-5-17-6-9-18)12-1-2-15-13(11-12)4-10-19-15/h1-2,11,14,17H,3-10,16H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116939919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).