1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine

C17H27ClN2 — CID 64933308

IUPAC1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)ccc2C)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-5-6-15-11-20(17(10-19-15)12(2)3)16-9-14(18)8-7-13(16)4/h7-9,12,15,17,19H,5-6,10-11H2,1-4H3
InChIKeyXHPOHWXAAVISCK-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.25
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine

1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64933308) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64933308
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2cc(Cl)ccc2C)C(C(C)C)CN1
InChIInChI=1S/C17H27ClN2/c1-5-6-15-11-20(17(10-19-15)12(2)3)16-9-14(18)8-7-13(16)4/h7-9,12,15,17,19H,5-6,10-11H2,1-4H3
InChIKeyXHPOHWXAAVISCK-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940187
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
CID 64930588
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347
1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64935312

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine (CID 64933308) is 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2cc(Cl)ccc2C)C(C(C)C)CN1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is XHPOHWXAAVISCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-5-6-15-11-20(17(10-19-15)12(2)3)16-9-14(18)8-7-13(16)4/h7-9,12,15,17,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine?
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 294.87 g/mol, XLogP of 4.25, 4 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-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64933308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).