1-(4-cyclohexylphenyl)-4-methylpiperazine

C17H26N2 — CID 142618423

IUPAC1-(4-cyclohexylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-18-11-13-19(14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyHYVCXXSGQSMSAD-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.49
Rot. Bonds2

About 1-(4-cyclohexylphenyl)-4-methylpiperazine

1-(4-cyclohexylphenyl)-4-methylpiperazine (PubChem CID 142618423) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-4-methylpiperazine
PubChem CID142618423
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(4-cyclohexylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-18-11-13-19(14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyHYVCXXSGQSMSAD-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-cyclohexylphenyl)-4-methylpiperazine (CID 142618423) is 1-(4-cyclohexylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-4-methylpiperazine is CN1CCN(c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-4-methylpiperazine?
The InChIKey is HYVCXXSGQSMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-11-13-19(14-12-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-4-methylpiperazine?
1-(4-cyclohexylphenyl)-4-methylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-4-methylpiperazine is sourced from PubChem (CID 142618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).