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

C24H40N2 — CID 11245244

IUPAC1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(C)cc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C24H40N2/c1-7-10-25-11-13-26(14-12-25)22-9-8-19(2)15-21(22)20-16-23(3,4)18-24(5,6)17-20/h8-9,15,20H,7,10-14,16-18H2,1-6H3
InChIKeyJZORCOKCMFWOPZ-UHFFFAOYSA-N
MW356.60 g/mol
LogP5.85
Rot. Bonds4

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

1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine (PubChem CID 11245244) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
PubChem CID11245244
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(C)cc2C2CC(C)(C)CC(C)(C)C2)CC1
InChIInChI=1S/C24H40N2/c1-7-10-25-11-13-26(14-12-25)22-9-8-19(2)15-21(22)20-16-23(3,4)18-24(5,6)17-20/h8-9,15,20H,7,10-14,16-18H2,1-6H3
InChIKeyJZORCOKCMFWOPZ-UHFFFAOYSA-N
XLogP5.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The IUPAC name of 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine (CID 11245244) is 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine.
What is the SMILES notation for 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The canonical SMILES for 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine is CCCN1CCN(c2ccc(C)cc2C2CC(C)(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
The InChIKey is JZORCOKCMFWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-7-10-25-11-13-26(14-12-25)22-9-8-19(2)15-21(22)20-16-23(3,4)18-24(5,6)17-20/h8-9,15,20H,7,10-14,16-18H2,1-6H3.
What are the key properties of 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine?
1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine has a molecular weight of 356.60 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine is sourced from PubChem (CID 11245244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).