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

C18H27FN2 — CID 64839080

IUPAC2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-13(2)17-11-21(10-14-4-8-16(19)9-5-14)18(3,12-20-17)15-6-7-15/h4-5,8-9,13,15,17,20H,6-7,10-12H2,1-3H3
InChIKeyLCMOXIOUCZDZIB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.42
Rot. Bonds4

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

2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64839080) 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-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID64839080
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H27FN2/c1-13(2)17-11-21(10-14-4-8-16(19)9-5-14)18(3,12-20-17)15-6-7-15/h4-5,8-9,13,15,17,20H,6-7,10-12H2,1-3H3
InChIKeyLCMOXIOUCZDZIB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.42
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-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine (CID 64839080) is 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccc(F)cc2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is LCMOXIOUCZDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13(2)17-11-21(10-14-4-8-16(19)9-5-14)18(3,12-20-17)15-6-7-15/h4-5,8-9,13,15,17,20H,6-7,10-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine?
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 290.43 g/mol, XLogP of 3.42, 4 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-propan-2-ylpiperazine is sourced from PubChem (CID 64839080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).