2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol

C24H50N2O2 — CID 22483611

IUPAC2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
SMILESCCCCCCCCCCCCCCCCCCN1CCNCC1CC(O)O
InChIInChI=1S/C24H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-25-22-23(26)21-24(27)28/h23-25,27-28H,2-22H2,1H3
InChIKeyKAGKMHZTBACYGR-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.22
Rot. Bonds19

About 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol

2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol (PubChem CID 22483611) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
PubChem CID22483611
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Name2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
SMILESCCCCCCCCCCCCCCCCCCN1CCNCC1CC(O)O
InChIInChI=1S/C24H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-25-22-23(26)21-24(27)28/h23-25,27-28H,2-22H2,1H3
InChIKeyKAGKMHZTBACYGR-UHFFFAOYSA-N
XLogP5.22
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-heptylpiperazin-2-yl)acetaldehyde
CID 54004114
2-(1-decylpiperazin-2-yl)acetaldehyde
CID 54302249
methanol;2-methyl-1-nonylpiperazine
CID 144711987
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
2-(1-butylpiperazin-2-yl)acetaldehyde
CID 54035892
2-[(2S)-1-butylpiperazin-2-yl]acetamide
CID 139684996
2-cyclohexyl-1-hexylpiperazine
CID 64846644
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
4-(2-ethylpiperazin-1-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 64931512
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882

Frequently Asked Questions

What is the IUPAC name of 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol?
The IUPAC name of 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol (CID 22483611) is 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol.
What is the SMILES notation for 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol?
The canonical SMILES for 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol is CCCCCCCCCCCCCCCCCCN1CCNCC1CC(O)O.
What is the InChIKey of 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol?
The InChIKey is KAGKMHZTBACYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-25-22-23(26)21-24(27)28/h23-25,27-28H,2-22H2,1H3.
What are the key properties of 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol?
2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol has a molecular weight of 398.68 g/mol, XLogP of 5.22, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol is sourced from PubChem (CID 22483611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).