2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine

C14H19FN2 — CID 64833163

IUPAC2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2C2CC2)cc1
InChIInChI=1S/C14H19FN2/c15-13-5-1-11(2-6-13)10-17-8-7-16-9-14(17)12-3-4-12/h1-2,5-6,12,14,16H,3-4,7-10H2
InChIKeyXBYUSWAZGQONCB-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.01
Rot. Bonds3

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

2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine (PubChem CID 64833163) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
PubChem CID64833163
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCNCC2C2CC2)cc1
InChIInChI=1S/C14H19FN2/c15-13-5-1-11(2-6-13)10-17-8-7-16-9-14(17)12-3-4-12/h1-2,5-6,12,14,16H,3-4,7-10H2
InChIKeyXBYUSWAZGQONCB-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.01
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]piperazine?
The IUPAC name of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine (CID 64833163) is 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCNCC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is XBYUSWAZGQONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-13-5-1-11(2-6-13)10-17-8-7-16-9-14(17)12-3-4-12/h1-2,5-6,12,14,16H,3-4,7-10H2.
What are the key properties of 2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine?
2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 234.32 g/mol, XLogP of 2.01, 3 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]piperazine is sourced from PubChem (CID 64833163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).