1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine

C19H21BrN2 — CID 118119442

IUPAC1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine
SMILESCCN1CCN(C2c3ccccc3-c3ccc(Br)cc32)CC1
InChIInChI=1S/C19H21BrN2/c1-2-21-9-11-22(12-10-21)19-17-6-4-3-5-15(17)16-8-7-14(20)13-18(16)19/h3-8,13,19H,2,9-12H2,1H3
InChIKeySQQYRJKZRCOGDQ-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine

1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine (PubChem CID 118119442) has the molecular formula C19H21BrN2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine
PubChem CID118119442
Molecular FormulaC19H21BrN2
Molecular Weight357.30 g/mol
Exact Mass356.09
IUPAC Name1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine
SMILESCCN1CCN(C2c3ccccc3-c3ccc(Br)cc32)CC1
InChIInChI=1S/C19H21BrN2/c1-2-21-9-11-22(12-10-21)19-17-6-4-3-5-15(17)16-8-7-14(20)13-18(16)19/h3-8,13,19H,2,9-12H2,1H3
InChIKeySQQYRJKZRCOGDQ-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine?
The IUPAC name of 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine (CID 118119442) is 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine is CCN1CCN(C2c3ccccc3-c3ccc(Br)cc32)CC1.
What is the InChIKey of 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine?
The InChIKey is SQQYRJKZRCOGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2/c1-2-21-9-11-22(12-10-21)19-17-6-4-3-5-15(17)16-8-7-14(20)13-18(16)19/h3-8,13,19H,2,9-12H2,1H3.
What are the key properties of 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine?
1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine has a molecular weight of 357.30 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-9H-fluoren-9-yl)-4-ethylpiperazine is sourced from PubChem (CID 118119442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).