5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate

C24H38N2O2 — CID 6734362

IUPAC5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate
SMILESO=C(OCCCCCc1ccccc1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C24H38N2O2/c27-24(28-21-9-3-8-12-22-10-4-1-5-11-22)26-19-17-25(18-20-26)16-15-23-13-6-2-7-14-23/h1,4-5,10-11,23H,2-3,6-9,12-21H2
InChIKeyYRHGAKBXDWWONC-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.12
Rot. Bonds9

About 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate

5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate (PubChem CID 6734362) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate
PubChem CID6734362
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate
SMILESO=C(OCCCCCc1ccccc1)N1CCN(CCC2CCCCC2)CC1
InChIInChI=1S/C24H38N2O2/c27-24(28-21-9-3-8-12-22-10-4-1-5-11-22)26-19-17-25(18-20-26)16-15-23-13-6-2-7-14-23/h1,4-5,10-11,23H,2-3,6-9,12-21H2
InChIKeyYRHGAKBXDWWONC-UHFFFAOYSA-N
XLogP5.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate?
The IUPAC name of 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate (CID 6734362) is 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate.
What is the SMILES notation for 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate?
The canonical SMILES for 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate is O=C(OCCCCCc1ccccc1)N1CCN(CCC2CCCCC2)CC1.
What is the InChIKey of 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate?
The InChIKey is YRHGAKBXDWWONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c27-24(28-21-9-3-8-12-22-10-4-1-5-11-22)26-19-17-25(18-20-26)16-15-23-13-6-2-7-14-23/h1,4-5,10-11,23H,2-3,6-9,12-21H2.
What are the key properties of 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate?
5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate has a molecular weight of 386.58 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl 4-(2-cyclohexylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 6734362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).