2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine

C18H27FN2 — CID 64839799

IUPAC2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-3-4-17-12-21(11-14-5-9-16(19)10-6-14)18(2,13-20-17)15-7-8-15/h5-6,9-10,15,17,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyJGJPISYUSFBXGQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds5

About 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine

2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine (PubChem CID 64839799) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
PubChem CID64839799
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-3-4-17-12-21(11-14-5-9-16(19)10-6-14)18(2,13-20-17)15-7-8-15/h5-6,9-10,15,17,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyJGJPISYUSFBXGQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine (CID 64839799) is 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine is CCCC1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
The InChIKey is JGJPISYUSFBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-3-4-17-12-21(11-14-5-9-16(19)10-6-14)18(2,13-20-17)15-7-8-15/h5-6,9-10,15,17,20H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine?
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine has a molecular weight of 290.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64839799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).