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

C23H35FN2 — CID 11152560

IUPAC1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(F)c2C2=CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H35FN2/c1-6-10-25-11-13-26(14-12-25)20-9-7-8-19(24)21(20)18-15-22(2,3)17-23(4,5)16-18/h7-9,15H,6,10-14,16-17H2,1-5H3
InChIKeyVDUGDKWVQPXYBD-UHFFFAOYSA-N
MW358.55 g/mol
LogP5.59
Rot. Bonds4

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

1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine (PubChem CID 11152560) has the molecular formula C23H35FN2 and a molecular weight of 358.55 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine
PubChem CID11152560
Molecular FormulaC23H35FN2
Molecular Weight358.55 g/mol
Exact Mass358.28
IUPAC Name1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(F)c2C2=CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H35FN2/c1-6-10-25-11-13-26(14-12-25)20-9-7-8-19(24)21(20)18-15-22(2,3)17-23(4,5)16-18/h7-9,15H,6,10-14,16-17H2,1-5H3
InChIKeyVDUGDKWVQPXYBD-UHFFFAOYSA-N
XLogP5.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine (CID 11152560) is 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine is CCCN1CCN(c2cccc(F)c2C2=CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine?
The InChIKey is VDUGDKWVQPXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2/c1-6-10-25-11-13-26(14-12-25)20-9-7-8-19(24)21(20)18-15-22(2,3)17-23(4,5)16-18/h7-9,15H,6,10-14,16-17H2,1-5H3.
What are the key properties of 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine?
1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine has a molecular weight of 358.55 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 11152560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).