1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine

C16H24ClFN2 — CID 171310903

IUPAC1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)3-4-16(20-7-5-19-6-8-20)13-9-14(17)11-15(18)10-13/h9-12,16,19H,3-8H2,1-2H3/t16-/m1/s1
InChIKeyISYIQNCCQXXPHU-MRXNPFEDSA-N
MW298.83 g/mol
LogP3.86
Rot. Bonds5

About 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine

1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine (PubChem CID 171310903) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
PubChem CID171310903
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-12(2)3-4-16(20-7-5-19-6-8-20)13-9-14(17)11-15(18)10-13/h9-12,16,19H,3-8H2,1-2H3/t16-/m1/s1
InChIKeyISYIQNCCQXXPHU-MRXNPFEDSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1R)-1-(3-chloro-5-fluorophenyl)pentyl]piperazine
CID 171169830
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
1-[(1S)-1-(3-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302675
1-[(1R)-1-(3-chloro-5-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171169861
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine (CID 171310903) is 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine is CC(C)CC[C@H](c1cc(F)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine?
The InChIKey is ISYIQNCCQXXPHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-12(2)3-4-16(20-7-5-19-6-8-20)13-9-14(17)11-15(18)10-13/h9-12,16,19H,3-8H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine?
1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine has a molecular weight of 298.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-5-fluorophenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).