1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine

C17H27FN2 — CID 171310881

IUPAC1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
SMILESCc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1F
InChIInChI=1S/C17H27FN2/c1-13(2)4-7-17(20-10-8-19-9-11-20)15-5-6-16(18)14(3)12-15/h5-6,12-13,17,19H,4,7-11H2,1-3H3/t17-/m1/s1
InChIKeyAFGNDKJMTHDOQL-QGZVFWFLSA-N
MW278.42 g/mol
LogP3.52
Rot. Bonds5

About 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine (PubChem CID 171310881) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
PubChem CID171310881
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
SMILESCc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1F
InChIInChI=1S/C17H27FN2/c1-13(2)4-7-17(20-10-8-19-9-11-20)15-5-6-16(18)14(3)12-15/h5-6,12-13,17,19H,4,7-11H2,1-3H3/t17-/m1/s1
InChIKeyAFGNDKJMTHDOQL-QGZVFWFLSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173568
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
CID 171310993
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
CID 171310903
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine (CID 171310881) is 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine is Cc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine?
The InChIKey is AFGNDKJMTHDOQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)4-7-17(20-10-8-19-9-11-20)15-5-6-16(18)14(3)12-15/h5-6,12-13,17,19H,4,7-11H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine has a molecular weight of 278.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).