2-(1-heptylpiperazin-2-yl)acetaldehyde

C13H26N2O — CID 54004114

IUPAC2-(1-heptylpiperazin-2-yl)acetaldehyde
SMILESCCCCCCCN1CCNCC1CC=O
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-8-14-12-13(15)7-11-16/h11,13-14H,2-10,12H2,1H3
InChIKeyMZVYHJRLGOAODJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.82
Rot. Bonds8

About 2-(1-heptylpiperazin-2-yl)acetaldehyde

2-(1-heptylpiperazin-2-yl)acetaldehyde (PubChem CID 54004114) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(1-heptylpiperazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-heptylpiperazin-2-yl)acetaldehyde
PubChem CID54004114
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(1-heptylpiperazin-2-yl)acetaldehyde
SMILESCCCCCCCN1CCNCC1CC=O
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-8-14-12-13(15)7-11-16/h11,13-14H,2-10,12H2,1H3
InChIKeyMZVYHJRLGOAODJ-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-decylpiperazin-2-yl)acetaldehyde
CID 54302249
2-(1-butylpiperazin-2-yl)acetaldehyde
CID 54035892
2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
CID 22483611
2-[(2S)-1-butylpiperazin-2-yl]acetamide
CID 139684996
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
methanol;2-methyl-1-nonylpiperazine
CID 144711987
2-cyclohexyl-1-hexylpiperazine
CID 64846644
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
3-(2-prop-2-enylpiperazin-1-yl)propanoic acid
CID 140979385
1-butyl-2-cyclopropylpiperazine
CID 64833159
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptylpiperazin-2-yl)acetaldehyde?
The IUPAC name of 2-(1-heptylpiperazin-2-yl)acetaldehyde (CID 54004114) is 2-(1-heptylpiperazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-heptylpiperazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-heptylpiperazin-2-yl)acetaldehyde is CCCCCCCN1CCNCC1CC=O.
What is the InChIKey of 2-(1-heptylpiperazin-2-yl)acetaldehyde?
The InChIKey is MZVYHJRLGOAODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-9-15-10-8-14-12-13(15)7-11-16/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 2-(1-heptylpiperazin-2-yl)acetaldehyde?
2-(1-heptylpiperazin-2-yl)acetaldehyde has a molecular weight of 226.36 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylpiperazin-2-yl)acetaldehyde is sourced from PubChem (CID 54004114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).