1-pent-4-ynyl-2-propan-2-ylpiperazine

C12H22N2 — CID 106222019

IUPAC1-pent-4-ynyl-2-propan-2-ylpiperazine
SMILESC#CCCCN1CCNCC1C(C)C
InChIInChI=1S/C12H22N2/c1-4-5-6-8-14-9-7-13-10-12(14)11(2)3/h1,11-13H,5-10H2,2-3H3
InChIKeyQNIZNWPFJCICOT-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds4

About 1-pent-4-ynyl-2-propan-2-ylpiperazine

1-pent-4-ynyl-2-propan-2-ylpiperazine (PubChem CID 106222019) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-pent-4-ynyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-pent-4-ynyl-2-propan-2-ylpiperazine
PubChem CID106222019
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-pent-4-ynyl-2-propan-2-ylpiperazine
SMILESC#CCCCN1CCNCC1C(C)C
InChIInChI=1S/C12H22N2/c1-4-5-6-8-14-9-7-13-10-12(14)11(2)3/h1,11-13H,5-10H2,2-3H3
InChIKeyQNIZNWPFJCICOT-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-pent-4-ynyl-2-propan-2-ylpiperazine (CID 106222019) is 1-pent-4-ynyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-pent-4-ynyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-pent-4-ynyl-2-propan-2-ylpiperazine is C#CCCCN1CCNCC1C(C)C.
What is the InChIKey of 1-pent-4-ynyl-2-propan-2-ylpiperazine?
The InChIKey is QNIZNWPFJCICOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-6-8-14-9-7-13-10-12(14)11(2)3/h1,11-13H,5-10H2,2-3H3.
What are the key properties of 1-pent-4-ynyl-2-propan-2-ylpiperazine?
1-pent-4-ynyl-2-propan-2-ylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 106222019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).