1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine

C19H28N2O — CID 67814958

IUPAC1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine
SMILESC=CC(Oc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-2-19(22-18-11-7-4-8-12-18)21-15-13-20(14-16-21)17-9-5-3-6-10-17/h2,4,7-8,11-12,17,19H,1,3,5-6,9-10,13-16H2
InChIKeyXZIYCQMMCINGNO-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.53
Rot. Bonds5

About 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine

1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine (PubChem CID 67814958) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine
PubChem CID67814958
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine
SMILESC=CC(Oc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O/c1-2-19(22-18-11-7-4-8-12-18)21-15-13-20(14-16-21)17-9-5-3-6-10-17/h2,4,7-8,11-12,17,19H,1,3,5-6,9-10,13-16H2
InChIKeyXZIYCQMMCINGNO-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine (CID 67814958) is 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine is C=CC(Oc1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine?
The InChIKey is XZIYCQMMCINGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-19(22-18-11-7-4-8-12-18)21-15-13-20(14-16-21)17-9-5-3-6-10-17/h2,4,7-8,11-12,17,19H,1,3,5-6,9-10,13-16H2.
What are the key properties of 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine?
1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine has a molecular weight of 300.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1-phenoxyprop-2-enyl)piperazine is sourced from PubChem (CID 67814958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).