1-pent-4-ynyl-3-propylpiperazine

C12H22N2 — CID 106221930

IUPAC1-pent-4-ynyl-3-propylpiperazine
SMILESC#CCCCN1CCNC(CCC)C1
InChIInChI=1S/C12H22N2/c1-3-5-6-9-14-10-8-13-12(11-14)7-4-2/h1,12-13H,4-11H2,2H3
InChIKeyDVEDVMNIPYGEDO-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds5

About 1-pent-4-ynyl-3-propylpiperazine

1-pent-4-ynyl-3-propylpiperazine (PubChem CID 106221930) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-pent-4-ynyl-3-propylpiperazine.

Molecular Properties

Compound Name1-pent-4-ynyl-3-propylpiperazine
PubChem CID106221930
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-pent-4-ynyl-3-propylpiperazine
SMILESC#CCCCN1CCNC(CCC)C1
InChIInChI=1S/C12H22N2/c1-3-5-6-9-14-10-8-13-12(11-14)7-4-2/h1,12-13H,4-11H2,2H3
InChIKeyDVEDVMNIPYGEDO-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
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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Related Compounds

3-amino-N-ethylpiperidine
CID 98094
1-Pentylpiperazine
CID 2737112
Methyl(2-(piperidin-1-yl)ethyl)amine
CID 3157473
N-(2-Piperidylmethyl)-dimethylamine
CID 252484
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
N,1-dimethylpiperidin-3-amine
CID 547176
1-Propylpiperidin-3-amine
CID 18464262
Piperidine, 2-(((2-(diethylamino)ethyl)amino)methyl)-1,6-dimethyl-
CID 201021
1-(2-Aminopropyl)piperidine
CID 118143
1-(2-Pentyl)piperazine
CID 2737113
1-(3-Pentyl)piperazine
CID 2737116

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-3-propylpiperazine?
The IUPAC name of 1-pent-4-ynyl-3-propylpiperazine (CID 106221930) is 1-pent-4-ynyl-3-propylpiperazine.
What is the SMILES notation for 1-pent-4-ynyl-3-propylpiperazine?
The canonical SMILES for 1-pent-4-ynyl-3-propylpiperazine is C#CCCCN1CCNC(CCC)C1.
What is the InChIKey of 1-pent-4-ynyl-3-propylpiperazine?
The InChIKey is DVEDVMNIPYGEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-6-9-14-10-8-13-12(11-14)7-4-2/h1,12-13H,4-11H2,2H3.
What are the key properties of 1-pent-4-ynyl-3-propylpiperazine?
1-pent-4-ynyl-3-propylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-3-propylpiperazine is sourced from PubChem (CID 106221930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).