ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine

C17H33FN2 — CID 143483183

IUPACethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine
SMILESCC.CC.CC1=CC=C(F)C(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H21FN2.2C2H6/c1-11-3-5-12(14)13(6-4-11)16-9-7-15(2)8-10-16;2*1-2/h3,5,13H,4,6-10H2,1-2H3;2*1-2H3
InChIKeyDCAMADOFYLLERW-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.25
Rot. Bonds1

About ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine

ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 143483183) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID143483183
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Nameethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine
SMILESCC.CC.CC1=CC=C(F)C(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H21FN2.2C2H6/c1-11-3-5-12(14)13(6-4-11)16-9-7-15(2)8-10-16;2*1-2/h3,5,13H,4,6-10H2,1-2H3;2*1-2H3
InChIKeyDCAMADOFYLLERW-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine (CID 143483183) is ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine is CC.CC.CC1=CC=C(F)C(N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is DCAMADOFYLLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2.2C2H6/c1-11-3-5-12(14)13(6-4-11)16-9-7-15(2)8-10-16;2*1-2/h3,5,13H,4,6-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine?
ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine has a molecular weight of 284.46 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-5-methylcyclohepta-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 143483183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).