1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine

C19H30N2 — CID 2846662

IUPAC1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H30N2/c1-15-5-4-6-18(13-15)20-9-11-21(12-10-20)19-14-16(2)7-8-17(19)3/h7-8,14-15,18H,4-6,9-13H2,1-3H3
InChIKeyJQCRYKFJQAXIGC-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.00
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine

1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine (PubChem CID 2846662) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine
PubChem CID2846662
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3CCCC(C)C3)CC2)c1
InChIInChI=1S/C19H30N2/c1-15-5-4-6-18(13-15)20-9-11-21(12-10-20)19-14-16(2)7-8-17(19)3/h7-8,14-15,18H,4-6,9-13H2,1-3H3
InChIKeyJQCRYKFJQAXIGC-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine (CID 2846662) is 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine is Cc1ccc(C)c(N2CCN(C3CCCC(C)C3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine?
The InChIKey is JQCRYKFJQAXIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-5-4-6-18(13-15)20-9-11-21(12-10-20)19-14-16(2)7-8-17(19)3/h7-8,14-15,18H,4-6,9-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine?
1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(3-methylcyclohexyl)piperazine is sourced from PubChem (CID 2846662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).