5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine

C18H29FN2 — CID 64848611

IUPAC5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-4-7-17-11-20-18(14(3)5-2)13-21(17)12-15-8-6-9-16(19)10-15/h6,8-10,14,17-18,20H,4-5,7,11-13H2,1-3H3
InChIKeyMLQYVNVAYLDUSC-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.81
Rot. Bonds6

About 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine

5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine (PubChem CID 64848611) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
PubChem CID64848611
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)CC)CN1Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-4-7-17-11-20-18(14(3)5-2)13-21(17)12-15-8-6-9-16(19)10-15/h6,8-10,14,17-18,20H,4-5,7,11-13H2,1-3H3
InChIKeyMLQYVNVAYLDUSC-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine (CID 64848611) is 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine is CCCC1CNC(C(C)CC)CN1Cc1cccc(F)c1.
What is the InChIKey of 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine?
The InChIKey is MLQYVNVAYLDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-7-17-11-20-18(14(3)5-2)13-21(17)12-15-8-6-9-16(19)10-15/h6,8-10,14,17-18,20H,4-5,7,11-13H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine?
5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(3-fluorophenyl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64848611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).