1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine

C16H25FN2 — CID 82486399

IUPAC1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
SMILESCc1cc(CC(C(C)C)N2CCNCC2)ccc1F
InChIInChI=1S/C16H25FN2/c1-12(2)16(19-8-6-18-7-9-19)11-14-4-5-15(17)13(3)10-14/h4-5,10,12,16,18H,6-9,11H2,1-3H3
InChIKeyJBBJODDECRECDI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.61
Rot. Bonds4

About 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine

1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine (PubChem CID 82486399) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
PubChem CID82486399
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
SMILESCc1cc(CC(C(C)C)N2CCNCC2)ccc1F
InChIInChI=1S/C16H25FN2/c1-12(2)16(19-8-6-18-7-9-19)11-14-4-5-15(17)13(3)10-14/h4-5,10,12,16,18H,6-9,11H2,1-3H3
InChIKeyJBBJODDECRECDI-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035727
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine?
The IUPAC name of 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine (CID 82486399) is 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine.
What is the SMILES notation for 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine?
The canonical SMILES for 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine is Cc1cc(CC(C(C)C)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine?
The InChIKey is JBBJODDECRECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)16(19-8-6-18-7-9-19)11-14-4-5-15(17)13(3)10-14/h4-5,10,12,16,18H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine?
1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine is sourced from PubChem (CID 82486399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).