1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine

C23H37FN2 — CID 23142557

IUPAC1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cc(F)ccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H37FN2/c1-6-9-25-10-12-26(13-11-25)21-14-19(24)7-8-20(21)18-15-22(2,3)17-23(4,5)16-18/h7-8,14,18H,6,9-13,15-17H2,1-5H3
InChIKeyZGCCKGWWZSPDET-UHFFFAOYSA-N
MW360.56 g/mol
LogP5.68
Rot. Bonds4

About 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine

1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine (PubChem CID 23142557) has the molecular formula C23H37FN2 and a molecular weight of 360.56 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
PubChem CID23142557
Molecular FormulaC23H37FN2
Molecular Weight360.56 g/mol
Exact Mass360.29
IUPAC Name1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cc(F)ccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H37FN2/c1-6-9-25-10-12-26(13-11-25)21-14-19(24)7-8-20(21)18-15-22(2,3)17-23(4,5)16-18/h7-8,14,18H,6,9-13,15-17H2,1-5H3
InChIKeyZGCCKGWWZSPDET-UHFFFAOYSA-N
XLogP5.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine (CID 23142557) is 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine is CCCN1CCN(c2cc(F)ccc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The InChIKey is ZGCCKGWWZSPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN2/c1-6-9-25-10-12-26(13-11-25)21-14-19(24)7-8-20(21)18-15-22(2,3)17-23(4,5)16-18/h7-8,14,18H,6,9-13,15-17H2,1-5H3.
What are the key properties of 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine has a molecular weight of 360.56 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 23142557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).