5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine

C18H34N2 — CID 107901858

IUPAC5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
SMILESCC(C)=CCN1CC(C2CCCCC2)NCC1C(C)C
InChIInChI=1S/C18H34N2/c1-14(2)10-11-20-13-17(16-8-6-5-7-9-16)19-12-18(20)15(3)4/h10,15-19H,5-9,11-13H2,1-4H3
InChIKeyNANYCSAIZINRGW-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.83
Rot. Bonds4

About 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine

5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine (PubChem CID 107901858) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
PubChem CID107901858
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
SMILESCC(C)=CCN1CC(C2CCCCC2)NCC1C(C)C
InChIInChI=1S/C18H34N2/c1-14(2)10-11-20-13-17(16-8-6-5-7-9-16)19-12-18(20)15(3)4/h10,15-19H,5-9,11-13H2,1-4H3
InChIKeyNANYCSAIZINRGW-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.83
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

5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
5-cyclohexyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64859620
1-tert-butyl-5-cyclohexyl-2-propan-2-ylpiperazine
CID 64931346
5-cyclohexyl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64934247
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
3-[(5-cyclohexyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408641
5-cyclohexyl-1,2-bis(2-methylpropyl)piperazine
CID 64861705
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384
5-tert-butyl-2-cyclohexyl-1-(3-methylbut-2-enyl)piperazine
CID 107901569
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64859818
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine (CID 107901858) is 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine is CC(C)=CCN1CC(C2CCCCC2)NCC1C(C)C.
What is the InChIKey of 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
The InChIKey is NANYCSAIZINRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14(2)10-11-20-13-17(16-8-6-5-7-9-16)19-12-18(20)15(3)4/h10,15-19H,5-9,11-13H2,1-4H3.
What are the key properties of 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine has a molecular weight of 278.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 107901858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).