1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine

C21H16N2 — CID 164850348

IUPAC1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine
SMILESC#CC#CC#CC#CC#CC#CC#CN1CCN(C(C)C)CC1
InChIInChI=1S/C21H16N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)21(2)3/h1,21H,17-20H2,2-3H3
InChIKeyJRISEZFBZGWLRC-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.62
Rot. Bonds1

About 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine

1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine (PubChem CID 164850348) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine
PubChem CID164850348
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine
SMILESC#CC#CC#CC#CC#CC#CC#CN1CCN(C(C)C)CC1
InChIInChI=1S/C21H16N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)21(2)3/h1,21H,17-20H2,2-3H3
InChIKeyJRISEZFBZGWLRC-UHFFFAOYSA-N
XLogP0.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine?
The IUPAC name of 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine (CID 164850348) is 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine.
What is the SMILES notation for 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine?
The canonical SMILES for 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine is C#CC#CC#CC#CC#CC#CC#CN1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine?
The InChIKey is JRISEZFBZGWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)21(2)3/h1,21H,17-20H2,2-3H3.
What are the key properties of 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine?
1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine has a molecular weight of 296.37 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-tetradeca-1,3,5,7,9,11,13-heptaynylpiperazine is sourced from PubChem (CID 164850348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).