1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine

C15H23FN2 — CID 64933636

IUPAC1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-5-13-10-18(12(3)9-17-13)15-8-11(2)6-7-14(15)16/h6-8,12-13,17H,4-5,9-10H2,1-3H3
InChIKeyKXXKKTUTFFPWKO-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine

1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine (PubChem CID 64933636) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
PubChem CID64933636
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(C)ccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-5-13-10-18(12(3)9-17-13)15-8-11(2)6-7-14(15)16/h6-8,12-13,17H,4-5,9-10H2,1-3H3
InChIKeyKXXKKTUTFFPWKO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64931762
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
1-(3,4-difluorophenyl)-2-ethyl-5-propylpiperazine
CID 64930823

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine (CID 64933636) is 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2cc(C)ccc2F)C(C)CN1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine?
The InChIKey is KXXKKTUTFFPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-5-13-10-18(12(3)9-17-13)15-8-11(2)6-7-14(15)16/h6-8,12-13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine?
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64933636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).