hexadecan-1-ol;1-methylpiperazine

C21H46N2O — CID 68840724

IUPAChexadecan-1-ol;1-methylpiperazine
SMILESCCCCCCCCCCCCCCCCO.CN1CCNCC1
InChIInChI=1S/C16H34O.C5H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-7-4-2-6-3-5-7/h17H,2-16H2,1H3;6H,2-5H2,1H3
InChIKeyFSDOSBZNXGIPTH-UHFFFAOYSA-N
MW342.61 g/mol
LogP4.98
Rot. Bonds14

About hexadecan-1-ol;1-methylpiperazine

hexadecan-1-ol;1-methylpiperazine (PubChem CID 68840724) has the molecular formula C21H46N2O and a molecular weight of 342.61 g/mol. Its IUPAC name is hexadecan-1-ol;1-methylpiperazine.

Molecular Properties

Compound Namehexadecan-1-ol;1-methylpiperazine
PubChem CID68840724
Molecular FormulaC21H46N2O
Molecular Weight342.61 g/mol
Exact Mass342.36
IUPAC Namehexadecan-1-ol;1-methylpiperazine
SMILESCCCCCCCCCCCCCCCCO.CN1CCNCC1
InChIInChI=1S/C16H34O.C5H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-7-4-2-6-3-5-7/h17H,2-16H2,1H3;6H,2-5H2,1H3
InChIKeyFSDOSBZNXGIPTH-UHFFFAOYSA-N
XLogP4.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethylpiperazine;pentan-1-ol
CID 175276657
methane;1-methylpiperazine;piperidine;bis(propan-1-ol)
CID 163895753
1-tricosylpiperazine
CID 130183651
ethanol;1-methyl-1,4-diazepane
CID 174829780
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
hexan-1-ol;nonane
CID 175106830
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of hexadecan-1-ol;1-methylpiperazine?
The IUPAC name of hexadecan-1-ol;1-methylpiperazine (CID 68840724) is hexadecan-1-ol;1-methylpiperazine.
What is the SMILES notation for hexadecan-1-ol;1-methylpiperazine?
The canonical SMILES for hexadecan-1-ol;1-methylpiperazine is CCCCCCCCCCCCCCCCO.CN1CCNCC1.
What is the InChIKey of hexadecan-1-ol;1-methylpiperazine?
The InChIKey is FSDOSBZNXGIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C5H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-7-4-2-6-3-5-7/h17H,2-16H2,1H3;6H,2-5H2,1H3.
What are the key properties of hexadecan-1-ol;1-methylpiperazine?
hexadecan-1-ol;1-methylpiperazine has a molecular weight of 342.61 g/mol, XLogP of 4.98, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-ol;1-methylpiperazine is sourced from PubChem (CID 68840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).