2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol

C13H24N2O2 — CID 176954240

IUPAC2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol
SMILESC#CCCCCN1CCN(CC=O)CC1.CO
InChIInChI=1S/C12H20N2O.CH4O/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-15;1-2/h1,12H,3-11H2;2H,1H3
InChIKeyWIYAYRHYXNQAFZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.21
Rot. Bonds6

About 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol

2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol (PubChem CID 176954240) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol.

Molecular Properties

Compound Name2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol
PubChem CID176954240
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol
SMILESC#CCCCCN1CCN(CC=O)CC1.CO
InChIInChI=1S/C12H20N2O.CH4O/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-15;1-2/h1,12H,3-11H2;2H,1H3
InChIKeyWIYAYRHYXNQAFZ-UHFFFAOYSA-N
XLogP0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
1-methyl-4-pent-4-ynylpiperazine
CID 23446116
2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
1-hex-5-ynylpiperidin-4-one
CID 106210482
1-pent-4-ynylpyrrolidine
CID 82363312
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
1-hex-5-ynylpyrrolidin-3-one
CID 106210491
N-[2-[4-[(E)-4-oxobut-2-enyl]piperazin-1-yl]ethyl]pent-4-ynamide
CID 142510815
1-but-3-ynyl-4-methylpiperazine
CID 11593463
2-[7-(carboxymethyl)-4-(2-oxoethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane;methanol
CID 155716063
2-[4,7-bis(carboxymethyl)-10-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane;N-methylmethanamine
CID 155726279

Frequently Asked Questions

What is the IUPAC name of 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol?
The IUPAC name of 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol (CID 176954240) is 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol.
What is the SMILES notation for 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol?
The canonical SMILES for 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol is C#CCCCCN1CCN(CC=O)CC1.CO.
What is the InChIKey of 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol?
The InChIKey is WIYAYRHYXNQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.CH4O/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-12-15;1-2/h1,12H,3-11H2;2H,1H3.
What are the key properties of 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol?
2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol has a molecular weight of 240.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hex-5-ynylpiperazin-1-yl)acetaldehyde;methanol is sourced from PubChem (CID 176954240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).