1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine

C16H24N2O — CID 64942036

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(C2COc3ccccc32)C(C)CN1
InChIInChI=1S/C16H24N2O/c1-3-6-13-10-18(12(2)9-17-13)15-11-19-16-8-5-4-7-14(15)16/h4-5,7-8,12-13,15,17H,3,6,9-11H2,1-2H3
InChIKeySXZFTSDPVGIIAG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine

1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine (PubChem CID 64942036) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine
PubChem CID64942036
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(C2COc3ccccc32)C(C)CN1
InChIInChI=1S/C16H24N2O/c1-3-6-13-10-18(12(2)9-17-13)15-11-19-16-8-5-4-7-14(15)16/h4-5,7-8,12-13,15,17H,3,6,9-11H2,1-2H3
InChIKeySXZFTSDPVGIIAG-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9796216
CP-99994
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1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
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CID 105083
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(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
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CID 207116
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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine (CID 64942036) is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine is CCCC1CN(C2COc3ccccc32)C(C)CN1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine?
The InChIKey is SXZFTSDPVGIIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-6-13-10-18(12(2)9-17-13)15-11-19-16-8-5-4-7-14(15)16/h4-5,7-8,12-13,15,17H,3,6,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine?
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64942036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).