1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine

C15H23FN2 — CID 64948589

IUPAC1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1C(C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-11-9-17-15(3,4)10-18(11)12(2)13-6-5-7-14(16)8-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyVJMLKOKSWDFOJB-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds2

About 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine

1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine (PubChem CID 64948589) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
PubChem CID64948589
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCC1CNC(C)(C)CN1C(C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-11-9-17-15(3,4)10-18(11)12(2)13-6-5-7-14(16)8-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyVJMLKOKSWDFOJB-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 66242439
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937367
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64946503
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 82248799
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947844
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine (CID 64948589) is 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine is CC1CNC(C)(C)CN1C(C)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine?
The InChIKey is VJMLKOKSWDFOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-17-15(3,4)10-18(11)12(2)13-6-5-7-14(16)8-13/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine?
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64948589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).