1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine

C18H32N2 — CID 107854279

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1CCC1=CCCCC1
InChIInChI=1S/C18H32N2/c1-14(2)18-12-19-17(16-8-9-16)13-20(18)11-10-15-6-4-3-5-7-15/h6,14,16-19H,3-5,7-13H2,1-2H3
InChIKeyYVLIHAOCLDBGGV-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine

1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 107854279) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID107854279
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1CCC1=CCCCC1
InChIInChI=1S/C18H32N2/c1-14(2)18-12-19-17(16-8-9-16)13-20(18)11-10-15-6-4-3-5-7-15/h6,14,16-19H,3-5,7-13H2,1-2H3
InChIKeyYVLIHAOCLDBGGV-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 114153752
5-[2-(5-cyclopropyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408806
5-cyclopropyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64861458
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
1-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpiperazine
CID 106172747
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
5-cyclohexyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64859620
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64861648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine (CID 107854279) is 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is YVLIHAOCLDBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)18-12-19-17(16-8-9-16)13-20(18)11-10-15-6-4-3-5-7-15/h6,14,16-19H,3-5,7-13H2,1-2H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 276.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107854279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).