1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine

C17H29FN2 — CID 162361422

IUPAC1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.CC(C)c1cccc(F)c1
InChIInChI=1S/C9H11F.C8H18N2/c1-7(2)8-4-3-5-9(10)6-8;1-8(2)10-6-4-9(3)5-7-10/h3-7H,1-2H3;8H,4-7H2,1-3H3
InChIKeyYUZYIBVCWHFMMQ-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.59
Rot. Bonds2

About 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine

1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine (PubChem CID 162361422) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
PubChem CID162361422
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.CC(C)c1cccc(F)c1
InChIInChI=1S/C9H11F.C8H18N2/c1-7(2)8-4-3-5-9(10)6-8;1-8(2)10-6-4-9(3)5-7-10/h3-7H,1-2H3;8H,4-7H2,1-3H3
InChIKeyYUZYIBVCWHFMMQ-UHFFFAOYSA-N
XLogP3.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 107519754
1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
cumene;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 164524639
ethane;1-fluoro-3-propan-2-ylbenzene;1-methylsulfanyl-3-propan-2-ylbenzene
CID 155735677
4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 142810039

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine (CID 162361422) is 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1.CC(C)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is YUZYIBVCWHFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C8H18N2/c1-7(2)8-4-3-5-9(10)6-8;1-8(2)10-6-4-9(3)5-7-10/h3-7H,1-2H3;8H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine?
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 280.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 162361422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).