1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine

C15H21Cl3N2 — CID 171304852

IUPAC1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine
SMILESCCC(C)[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C15H21Cl3N2/c1-3-10(2)15(20-6-4-19-5-7-20)12-8-11(16)9-13(17)14(12)18/h8-10,15,19H,3-7H2,1-2H3/t10?,15-/m1/s1
InChIKeyLEYFTAKAZVLBIW-GENIYJEYSA-N
MW335.71 g/mol
LogP4.64
Rot. Bonds4

About 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine

1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine (PubChem CID 171304852) has the molecular formula C15H21Cl3N2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine
PubChem CID171304852
Molecular FormulaC15H21Cl3N2
Molecular Weight335.71 g/mol
Exact Mass334.08
IUPAC Name1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine
SMILESCCC(C)[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C15H21Cl3N2/c1-3-10(2)15(20-6-4-19-5-7-20)12-8-11(16)9-13(17)14(12)18/h8-10,15,19H,3-7H2,1-2H3/t10?,15-/m1/s1
InChIKeyLEYFTAKAZVLBIW-GENIYJEYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-methylbutyl]piperazine
CID 171305248
1-[(1S)-4-methyl-1-(2,3,5-trichlorophenyl)pentyl]piperazine
CID 171310469
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(1S)-1-(5-chloro-2-nitrophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305351
1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
CID 171182779
1-[(1S)-2-methyl-1-(2,4,5-trifluorophenyl)butyl]piperazine
CID 171305480
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304375
1-[(1S)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309614
1-[(1R)-1-(2,3,5-trichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171308316
1-[(1R)-2,2-dimethyl-1-(2,3,5-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171295326
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine
CID 171304524

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine (CID 171304852) is 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine is CCC(C)[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine?
The InChIKey is LEYFTAKAZVLBIW-GENIYJEYSA-N. The full InChI is InChI=1S/C15H21Cl3N2/c1-3-10(2)15(20-6-4-19-5-7-20)12-8-11(16)9-13(17)14(12)18/h8-10,15,19H,3-7H2,1-2H3/t10?,15-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine?
1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine has a molecular weight of 335.71 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-(2,3,5-trichlorophenyl)butyl]piperazine is sourced from PubChem (CID 171304852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).