1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine

C15H23FN2 — CID 64953125

IUPAC1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCc1c(F)cccc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H23FN2/c1-11(2)9-13-10-18(8-7-17-13)15-6-4-5-14(16)12(15)3/h4-6,11,13,17H,7-10H2,1-3H3
InChIKeySLACMYIZNISCDS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine

1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64953125) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
PubChem CID64953125
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCc1c(F)cccc1N1CCNC(CC(C)C)C1
InChIInChI=1S/C15H23FN2/c1-11(2)9-13-10-18(8-7-17-13)15-6-4-5-14(16)12(15)3/h4-6,11,13,17H,7-10H2,1-3H3
InChIKeySLACMYIZNISCDS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine (CID 64953125) is 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine is Cc1c(F)cccc1N1CCNC(CC(C)C)C1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is SLACMYIZNISCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(2)9-13-10-18(8-7-17-13)15-6-4-5-14(16)12(15)3/h4-6,11,13,17H,7-10H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine?
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64953125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).