1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine

C15H28N2 — CID 2881666

IUPAC1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESCCC(C)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C15H28N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyYVMFYUQRJHTFPJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.76
Rot. Bonds4

About 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine

1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine (PubChem CID 2881666) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine
PubChem CID2881666
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESCCC(C)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C15H28N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyYVMFYUQRJHTFPJ-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine (CID 2881666) is 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine is CCC(C)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The InChIKey is YVMFYUQRJHTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-14(2)17-11-9-16(10-12-17)13-15-7-5-4-6-8-15/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(cyclohex-3-en-1-ylmethyl)piperazine is sourced from PubChem (CID 2881666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).