1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine

C16H25FN2 — CID 145147205

IUPAC1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(C(C)C)cc2F)CC1
InChIInChI=1S/C16H25FN2/c1-4-18-7-9-19(10-8-18)12-15-6-5-14(13(2)3)11-16(15)17/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyOZTULKJNDPRGPV-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.09
Rot. Bonds4

About 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine

1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 145147205) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
PubChem CID145147205
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(C(C)C)cc2F)CC1
InChIInChI=1S/C16H25FN2/c1-4-18-7-9-19(10-8-18)12-15-6-5-14(13(2)3)11-16(15)17/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyOZTULKJNDPRGPV-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine (CID 145147205) is 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine is CCN1CCN(Cc2ccc(C(C)C)cc2F)CC1.
What is the InChIKey of 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is OZTULKJNDPRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-18-7-9-19(10-8-18)12-15-6-5-14(13(2)3)11-16(15)17/h5-6,11,13H,4,7-10,12H2,1-3H3.
What are the key properties of 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine?
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 145147205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).