(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine

C15H23FN2 — CID 140925009

IUPAC(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-4-17-9-10-18(12(2)3)15(11-17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1
InChIKeyBNAXLUOJWUGDIU-HNNXBMFYSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds3

About (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine

(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine (PubChem CID 140925009) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
PubChem CID140925009
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-4-17-9-10-18(12(2)3)15(11-17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1
InChIKeyBNAXLUOJWUGDIU-HNNXBMFYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine (CID 140925009) is (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine is CCN1CCN(C(C)C)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine?
The InChIKey is BNAXLUOJWUGDIU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-17-9-10-18(12(2)3)15(11-17)13-5-7-14(16)8-6-13/h5-8,12,15H,4,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine?
(2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-2-(4-fluorophenyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 140925009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).