1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine

C19H30N2 — CID 64942217

IUPAC1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCC1CCC(N2CC(c3ccccc3)NCC2C)C(C)C1
InChIInChI=1S/C19H30N2/c1-14-9-10-19(15(2)11-14)21-13-18(20-12-16(21)3)17-7-5-4-6-8-17/h4-8,14-16,18-20H,9-13H2,1-3H3
InChIKeyPTZIHWUWROFMNT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds2

About 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine

1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine (PubChem CID 64942217) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
PubChem CID64942217
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
SMILESCC1CCC(N2CC(c3ccccc3)NCC2C)C(C)C1
InChIInChI=1S/C19H30N2/c1-14-9-10-19(15(2)11-14)21-13-18(20-12-16(21)3)17-7-5-4-6-8-17/h4-8,14-16,18-20H,9-13H2,1-3H3
InChIKeyPTZIHWUWROFMNT-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine (CID 64942217) is 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine is CC1CCC(N2CC(c3ccccc3)NCC2C)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
The InChIKey is PTZIHWUWROFMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-9-10-19(15(2)11-14)21-13-18(20-12-16(21)3)17-7-5-4-6-8-17/h4-8,14-16,18-20H,9-13H2,1-3H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine?
1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64942217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).