(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride

C14H17ClN2O2 — CID 24748005

IUPAC(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2)oc2ccccc12.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-10-11-4-2-3-5-12(11)18-13(10)14(17)16-8-6-15-7-9-16;/h2-5,15H,6-9H2,1H3;1H
InChIKeyJBSNLDJASLXIHJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.21
Rot. Bonds1

About (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride

(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 24748005) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID24748005
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1c(C(=O)N2CCNCC2)oc2ccccc12.Cl
InChIInChI=1S/C14H16N2O2.ClH/c1-10-11-4-2-3-5-12(11)18-13(10)14(17)16-8-6-15-7-9-16;/h2-5,15H,6-9H2,1H3;1H
InChIKeyJBSNLDJASLXIHJ-UHFFFAOYSA-N
XLogP2.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride (CID 24748005) is (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1c(C(=O)N2CCNCC2)oc2ccccc12.Cl.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is JBSNLDJASLXIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c1-10-11-4-2-3-5-12(11)18-13(10)14(17)16-8-6-15-7-9-16;/h2-5,15H,6-9H2,1H3;1H.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride?
(3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 24748005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).