2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine

C14H26N2 — CID 107901505

IUPAC2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CC(C)(C)NCC1C1CC1
InChIInChI=1S/C14H26N2/c1-11(2)7-8-16-10-14(3,4)15-9-13(16)12-5-6-12/h7,12-13,15H,5-6,8-10H2,1-4H3
InChIKeyYBYXAAZBCIMBGJ-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.41
Rot. Bonds3

About 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine

2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine (PubChem CID 107901505) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine
PubChem CID107901505
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CC(C)(C)NCC1C1CC1
InChIInChI=1S/C14H26N2/c1-11(2)7-8-16-10-14(3,4)15-9-13(16)12-5-6-12/h7,12-13,15H,5-6,8-10H2,1-4H3
InChIKeyYBYXAAZBCIMBGJ-UHFFFAOYSA-N
XLogP2.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.41
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-[(E)-but-2-enyl]-2-cyclohexyl-5,5-dimethylpiperazine
CID 107897937
2-cyclohexyl-1-(2-fluoroethyl)-5,5-dimethylpiperazine
CID 80698025
2-cyclopropyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64839324
2-cyclopropyl-5,5-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64838935
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978
2-cyclohexyl-1-hexyl-5,5-dimethylpiperazine
CID 64840300
2-cyclopropyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839337
2-cyclopropyl-5,5-dimethyl-1-(2-phenylsulfanylethyl)piperazine
CID 79223831
1-[2-(2-cyclopropyl-5,5-dimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907135
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine (CID 107901505) is 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine is CC(C)=CCN1CC(C)(C)NCC1C1CC1.
What is the InChIKey of 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine?
The InChIKey is YBYXAAZBCIMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)7-8-16-10-14(3,4)15-9-13(16)12-5-6-12/h7,12-13,15H,5-6,8-10H2,1-4H3.
What are the key properties of 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine?
2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-dimethyl-1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 107901505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).