5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine

C16H21Cl3N2 — CID 64934312

IUPAC5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl3N2/c1-9(2)16-7-20-14(10-3-4-10)8-21(16)15-6-12(18)11(17)5-13(15)19/h5-6,9-10,14,16,20H,3-4,7-8H2,1-2H3
InChIKeyCLPRCOWWOGFKAI-UHFFFAOYSA-N
MW347.72 g/mol
LogP4.86
Rot. Bonds3

About 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine

5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (PubChem CID 64934312) has the molecular formula C16H21Cl3N2 and a molecular weight of 347.72 g/mol. Its IUPAC name is 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
PubChem CID64934312
Molecular FormulaC16H21Cl3N2
Molecular Weight347.72 g/mol
Exact Mass346.08
IUPAC Name5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl3N2/c1-9(2)16-7-20-14(10-3-4-10)8-21(16)15-6-12(18)11(17)5-13(15)19/h5-6,9-10,14,16,20H,3-4,7-8H2,1-2H3
InChIKeyCLPRCOWWOGFKAI-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 54.86
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

5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
CID 107579965
1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64934453
5-cyclopropyl-1-(4-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 64939851
5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
CID 107603823
5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 107586923
5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64934504
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (CID 64934312) is 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is CC(C)C1CNC(C2CC2)CN1c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The InChIKey is CLPRCOWWOGFKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl3N2/c1-9(2)16-7-20-14(10-3-4-10)8-21(16)15-6-12(18)11(17)5-13(15)19/h5-6,9-10,14,16,20H,3-4,7-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine has a molecular weight of 347.72 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is sourced from PubChem (CID 64934312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).