1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

C23H38N2 — CID 11450722

IUPAC1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19/h7-10,19H,6,11-18H2,1-5H3
InChIKeyGAKUHUDQOSTXGQ-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.54
Rot. Bonds4

About 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine

1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (PubChem CID 11450722) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.

Molecular Properties

Compound Name1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
PubChem CID11450722
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
SMILESCCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C23H38N2/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19/h7-10,19H,6,11-18H2,1-5H3
InChIKeyGAKUHUDQOSTXGQ-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The IUPAC name of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine (CID 11450722) is 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine.
What is the SMILES notation for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The canonical SMILES for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is CCCN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
The InChIKey is GAKUHUDQOSTXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-6-11-24-12-14-25(15-13-24)21-10-8-7-9-20(21)19-16-22(2,3)18-23(4,5)17-19/h7-10,19H,6,11-18H2,1-5H3.
What are the key properties of 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine?
1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine has a molecular weight of 342.57 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine is sourced from PubChem (CID 11450722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).