1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

C16H25FN2 — CID 64937367

IUPAC1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2cccc(F)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25FN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3
InChIKeyYKUYSWGHJRGXMR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds3

About 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64937367) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64937367
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C(C)c2cccc(F)c2)C(C(C)C)CN1
InChIInChI=1S/C16H25FN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3
InChIKeyYKUYSWGHJRGXMR-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937944
1-[1-(3-fluorophenyl)ethyl]-2-methylpiperazine
CID 64931500
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937506
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64954077
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
5-cyclopropyl-2-ethyl-1-[1-(3-fluorophenyl)ethyl]piperazine
CID 64947817
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979578
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
5-methyl-2-propan-2-yl-1-(1-thiophen-3-ylpropan-2-yl)piperazine
CID 64937748
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (CID 64937367) is 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is CC1CN(C(C)c2cccc(F)c2)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is YKUYSWGHJRGXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)16-9-18-12(3)10-19(16)13(4)14-6-5-7-15(17)8-14/h5-8,11-13,16,18H,9-10H2,1-4H3.
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
1-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.20, 3 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]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64937367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).