1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine

C14H19ClN2O — CID 162671115

IUPAC1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-4-6-17(7-5-16)10-13-9-11-8-12(15)2-3-14(11)18-13/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyRNUOFCMNVAUGMR-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.89
Rot. Bonds2

About 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine

1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine (PubChem CID 162671115) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
PubChem CID162671115
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-4-6-17(7-5-16)10-13-9-11-8-12(15)2-3-14(11)18-13/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyRNUOFCMNVAUGMR-UHFFFAOYSA-N
XLogP1.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine (CID 162671115) is 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine is CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1.
What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine?
The InChIKey is RNUOFCMNVAUGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16-4-6-17(7-5-16)10-13-9-11-8-12(15)2-3-14(11)18-13/h2-3,8,13H,4-7,9-10H2,1H3.
What are the key properties of 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine?
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine has a molecular weight of 266.77 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 162671115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).