1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine

C16H24ClFN2 — CID 171168893

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)13-5-6-15(18)14(17)11-13/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1
InChIKeyBEZUTZDAYPCTPW-PVQCJRHBSA-N
MW298.83 g/mol
LogP3.86
Rot. Bonds5

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine (PubChem CID 171168893) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
PubChem CID171168893
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C16H24ClFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)13-5-6-15(18)14(17)11-13/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1
InChIKeyBEZUTZDAYPCTPW-PVQCJRHBSA-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-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1R)-1-(2,3-dichloro-6-fluorophenyl)-2-methylpentyl]piperazine
CID 171173226
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine
CID 171171865
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171166423
1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-2-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine;hydrochloride
CID 171169865
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine (CID 171168893) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine is CCCC(C)[C@H](c1ccc(F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine?
The InChIKey is BEZUTZDAYPCTPW-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)13-5-6-15(18)14(17)11-13/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine?
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-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-4-fluorophenyl)-2-methylpentyl]piperazine is sourced from PubChem (CID 171168893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).