1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine

C17H27ClN2 — CID 64938084

IUPAC1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(Cl)cc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H27ClN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-8-14(18)7-6-13(16)5/h6-8,11-12,15,17,19H,9-10H2,1-5H3
InChIKeyIZBBUCMJRRAYDI-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine

1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64938084) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64938084
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCc1ccc(Cl)cc1N1CC(C(C)C)NCC1C(C)C
InChIInChI=1S/C17H27ClN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-8-14(18)7-6-13(16)5/h6-8,11-12,15,17,19H,9-10H2,1-5H3
InChIKeyIZBBUCMJRRAYDI-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-(4-bromo-2,3-dichlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 107794416
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine (CID 64938084) is 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine is Cc1ccc(Cl)cc1N1CC(C(C)C)NCC1C(C)C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is IZBBUCMJRRAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-11(2)15-10-20(17(9-19-15)12(3)4)16-8-14(18)7-6-13(16)5/h6-8,11-12,15,17,19H,9-10H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine?
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64938084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).