1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine

C16H24N2 — CID 113480602

IUPAC1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine
SMILESC=CC(C)N1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C16H24N2/c1-5-13(2)18-12-16(4,17-11-14(18)3)15-9-7-6-8-10-15/h5-10,13-14,17H,1,11-12H2,2-4H3
InChIKeyAAYAYLYGUXDIKW-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.77
Rot. Bonds3

About 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine

1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine (PubChem CID 113480602) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine
PubChem CID113480602
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine
SMILESC=CC(C)N1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C16H24N2/c1-5-13(2)18-12-16(4,17-11-14(18)3)15-9-7-6-8-10-15/h5-10,13-14,17H,1,11-12H2,2-4H3
InChIKeyAAYAYLYGUXDIKW-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
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-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine?
The IUPAC name of 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine (CID 113480602) is 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine.
What is the SMILES notation for 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine?
The canonical SMILES for 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine is C=CC(C)N1CC(C)(c2ccccc2)NCC1C.
What is the InChIKey of 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine?
The InChIKey is AAYAYLYGUXDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-13(2)18-12-16(4,17-11-14(18)3)15-9-7-6-8-10-15/h5-10,13-14,17H,1,11-12H2,2-4H3.
What are the key properties of 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine?
1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine is sourced from PubChem (CID 113480602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).