ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine

C19H33FN2 — CID 145147233

IUPACethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC.CC(C)c1ccc(CN2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H27FN2.C2H6/c1-13(2)16-6-5-15(11-17(16)18)12-19-7-9-20(10-8-19)14(3)4;1-2/h5-6,11,13-14H,7-10,12H2,1-4H3;1-2H3
InChIKeyLIZJBNVQGKYMEM-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.50
Rot. Bonds4

About ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine

ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 145147233) has the molecular formula C19H33FN2 and a molecular weight of 308.49 g/mol. Its IUPAC name is ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
PubChem CID145147233
Molecular FormulaC19H33FN2
Molecular Weight308.49 g/mol
Exact Mass308.26
IUPAC Nameethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
SMILESCC.CC(C)c1ccc(CN2CCN(C(C)C)CC2)cc1F
InChIInChI=1S/C17H27FN2.C2H6/c1-13(2)16-6-5-15(11-17(16)18)12-19-7-9-20(10-8-19)14(3)4;1-2/h5-6,11,13-14H,7-10,12H2,1-4H3;1-2H3
InChIKeyLIZJBNVQGKYMEM-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine (CID 145147233) is ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine is CC.CC(C)c1ccc(CN2CCN(C(C)C)CC2)cc1F.
What is the InChIKey of ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is LIZJBNVQGKYMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2.C2H6/c1-13(2)16-6-5-15(11-17(16)18)12-19-7-9-20(10-8-19)14(3)4;1-2/h5-6,11,13-14H,7-10,12H2,1-4H3;1-2H3.
What are the key properties of ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine?
ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 308.49 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 145147233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).