1-(5-propoxypent-2-ynyl)piperazine

C12H22N2O — CID 156867220

IUPAC1-(5-propoxypent-2-ynyl)piperazine
SMILESCCCOCCC#CCN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-2-11-15-12-5-3-4-8-14-9-6-13-7-10-14/h13H,2,5-12H2,1H3
InChIKeyPJTQKZUIRBULEZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds5

About 1-(5-propoxypent-2-ynyl)piperazine

1-(5-propoxypent-2-ynyl)piperazine (PubChem CID 156867220) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(5-propoxypent-2-ynyl)piperazine.

Molecular Properties

Compound Name1-(5-propoxypent-2-ynyl)piperazine
PubChem CID156867220
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(5-propoxypent-2-ynyl)piperazine
SMILESCCCOCCC#CCN1CCNCC1
InChIInChI=1S/C12H22N2O/c1-2-11-15-12-5-3-4-8-14-9-6-13-7-10-14/h13H,2,5-12H2,1H3
InChIKeyPJTQKZUIRBULEZ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584
1-piperazin-1-yl-3-propoxypropan-2-one
CID 116559563
1-(3-propoxypropyl)-1,5-diazocane
CID 82947499
hydron;1-propylpiperazine;dibromide
CID 91980567
methyl 4-piperazin-1-ylbut-2-ynoate
CID 115016129
1-[(4-propoxycyclohexyl)methyl]piperazine
CID 170953587
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
5,5-dimethyl-1-propoxyhex-3-yne
CID 123574561
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxypent-2-ynyl)piperazine?
The IUPAC name of 1-(5-propoxypent-2-ynyl)piperazine (CID 156867220) is 1-(5-propoxypent-2-ynyl)piperazine.
What is the SMILES notation for 1-(5-propoxypent-2-ynyl)piperazine?
The canonical SMILES for 1-(5-propoxypent-2-ynyl)piperazine is CCCOCCC#CCN1CCNCC1.
What is the InChIKey of 1-(5-propoxypent-2-ynyl)piperazine?
The InChIKey is PJTQKZUIRBULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-11-15-12-5-3-4-8-14-9-6-13-7-10-14/h13H,2,5-12H2,1H3.
What are the key properties of 1-(5-propoxypent-2-ynyl)piperazine?
1-(5-propoxypent-2-ynyl)piperazine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxypent-2-ynyl)piperazine is sourced from PubChem (CID 156867220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).