1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine

C16H24N2O — CID 173092297

IUPAC1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2OCC3)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-8-17-9-11-18(12-10-17)15-6-4-5-14-7-13-19-16(14)15/h4-6H,2-3,7-13H2,1H3
InChIKeyRWLBZZWIVIBODU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds4

About 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine

1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine (PubChem CID 173092297) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
PubChem CID173092297
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2OCC3)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-8-17-9-11-18(12-10-17)15-6-4-5-14-7-13-19-16(14)15/h4-6H,2-3,7-13H2,1H3
InChIKeyRWLBZZWIVIBODU-UHFFFAOYSA-N
XLogP2.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073559
1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]-1-(1H-indol-2-yl)urea
CID 11611787
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-(3-chloro-1-benzothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11713042
1-(1-benzofuran-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11576271
[2-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butyl]-1-benzofuran-3-yl]urea
CID 69253173
1-(1-benzothiophen-2-yl)-1-[4-[4-(3,4-dihydro-2H-chromen-8-yl)-1,4-diazepan-1-yl]butyl]urea
CID 11662973
[2-[4-[4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-1,4-diazepan-1-yl]butyl]-1-benzothiophen-3-yl]urea
CID 69253388
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine?
The IUPAC name of 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine (CID 173092297) is 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine.
What is the SMILES notation for 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine?
The canonical SMILES for 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine is CCCCN1CCN(c2cccc3c2OCC3)CC1.
What is the InChIKey of 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine?
The InChIKey is RWLBZZWIVIBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-8-17-9-11-18(12-10-17)15-6-4-5-14-7-13-19-16(14)15/h4-6H,2-3,7-13H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine?
1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine is sourced from PubChem (CID 173092297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).