1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine

C15H21FN2O — CID 66359956

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2Cc3cc(F)ccc3O2)CCN1
InChIInChI=1S/C15H21FN2O/c1-15(2)10-18(6-5-17-15)9-13-8-11-7-12(16)3-4-14(11)19-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3
InChIKeyZNFAFJNSMXTMSF-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.81
Rot. Bonds2

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine (PubChem CID 66359956) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine
PubChem CID66359956
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine
SMILESCC1(C)CN(CC2Cc3cc(F)ccc3O2)CCN1
InChIInChI=1S/C15H21FN2O/c1-15(2)10-18(6-5-17-15)9-13-8-11-7-12(16)3-4-14(11)19-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3
InChIKeyZNFAFJNSMXTMSF-UHFFFAOYSA-N
XLogP1.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine (CID 66359956) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine is CC1(C)CN(CC2Cc3cc(F)ccc3O2)CCN1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine?
The InChIKey is ZNFAFJNSMXTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2)10-18(6-5-17-15)9-13-8-11-7-12(16)3-4-14(11)19-13/h3-4,7,13,17H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine has a molecular weight of 264.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 66359956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).