1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine

C15H30N2 — CID 58993909

IUPAC1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine
SMILESCC(C)(C)/C=C/CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h7-8H,9-13H2,1-6H3/b8-7+
InChIKeyRKKVJSNFOXCNIK-BQYQJAHWSA-N
MW238.42 g/mol
LogP3.00
Rot. Bonds2

About 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine

1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine (PubChem CID 58993909) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine
PubChem CID58993909
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine
SMILESCC(C)(C)/C=C/CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h7-8H,9-13H2,1-6H3/b8-7+
InChIKeyRKKVJSNFOXCNIK-BQYQJAHWSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.00
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-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine (CID 58993909) is 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine is CC(C)(C)/C=C/CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine?
The InChIKey is RKKVJSNFOXCNIK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6/h7-8H,9-13H2,1-6H3/b8-7+.
What are the key properties of 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine?
1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine has a molecular weight of 238.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-4,4-dimethylpent-2-enyl]piperazine is sourced from PubChem (CID 58993909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).