1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine

C14H18N2O — CID 68945409

IUPAC1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1cccc2ccoc12
InChIInChI=1S/C14H18N2O/c1-14(2)10-15-7-8-16(14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyHQCWCTNMIBMGET-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.62
Rot. Bonds1

About 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine

1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine (PubChem CID 68945409) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine
PubChem CID68945409
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1c1cccc2ccoc12
InChIInChI=1S/C14H18N2O/c1-14(2)10-15-7-8-16(14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyHQCWCTNMIBMGET-UHFFFAOYSA-N
XLogP2.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-benzofuran-7-yl)-2,2-dimethylpiperazine
CID 22277283
2-chloro-6-(2,2-dimethylpiperazin-1-yl)benzonitrile
CID 65462011
2-(2,2-dimethylpiperazin-1-yl)quinazoline
CID 114789478
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 65484601
2,2-dimethyl-1-pyridin-2-ylpiperazine
CID 55248494
1-(1-benzofuran-7-yl)-4-propan-2-ylpiperazine;hydrochloride
CID 21286423
1-(4-fluoro-2-nitrophenyl)-2,2-dimethylpiperazine
CID 65460801
1-(5-bromo-2-pyridinyl)-2,2-dimethylpiperazine
CID 63595100
2,2-dimethyl-1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 65462205
1-[2-bromo-4-(trifluoromethyl)phenyl]-2,2-dimethylpiperazine
CID 115511932
2,2-dimethyl-1-[3-(trifluoromethoxy)phenyl]piperazine
CID 175262358
2,2-dimethyl-1-(4-nitrophenyl)piperazine
CID 65463015

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine (CID 68945409) is 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine is CC1(C)CNCCN1c1cccc2ccoc12.
What is the InChIKey of 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine?
The InChIKey is HQCWCTNMIBMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2)10-15-7-8-16(14)12-5-3-4-11-6-9-17-13(11)12/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine?
1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine has a molecular weight of 230.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-2,2-dimethylpiperazine is sourced from PubChem (CID 68945409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).