5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine

C17H27FN2O — CID 64933858

IUPAC5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2ccc(OC)c(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)13-7-8-16(21-5)14(18)9-13/h7-9,12,15,19H,6,10-11H2,1-5H3
InChIKeyWHWYPPBOORCQFH-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds4

About 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine

5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64933858) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64933858
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2ccc(OC)c(F)c2)C(C(C)C)CN1
InChIInChI=1S/C17H27FN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)13-7-8-16(21-5)14(18)9-13/h7-9,12,15,19H,6,10-11H2,1-5H3
InChIKeyWHWYPPBOORCQFH-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637
1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946280
1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 107603929
5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
CID 64847317
1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107623424
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64931976
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64871622

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine (CID 64933858) is 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(c2ccc(OC)c(F)c2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is WHWYPPBOORCQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-6-17(4)11-20(15(10-19-17)12(2)3)13-7-8-16(21-5)14(18)9-13/h7-9,12,15,19H,6,10-11H2,1-5H3.
What are the key properties of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine?
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 294.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64933858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).