1-(4-methylpiperazin-1-yl)hexadecan-2-ol

C21H44N2O — CID 56835127

IUPAC1-(4-methylpiperazin-1-yl)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN1CCN(C)CC1
InChIInChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)20-23-18-16-22(2)17-19-23/h21,24H,3-20H2,1-2H3
InChIKeyPOBGRRWXIIWWQF-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.69
Rot. Bonds15

About 1-(4-methylpiperazin-1-yl)hexadecan-2-ol

1-(4-methylpiperazin-1-yl)hexadecan-2-ol (PubChem CID 56835127) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)hexadecan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)hexadecan-2-ol
PubChem CID56835127
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name1-(4-methylpiperazin-1-yl)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN1CCN(C)CC1
InChIInChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)20-23-18-16-22(2)17-19-23/h21,24H,3-20H2,1-2H3
InChIKeyPOBGRRWXIIWWQF-UHFFFAOYSA-N
XLogP4.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hydroxycetyl hydroxyethyl dimonium chloride
CID 3020019
Hexadecanaminium,N-bis(2-hydroxyethyl)-N-methyl-, chloride
CID 386355
Piperazine derivative, 5
CID 71463391
Piperazine derivative, 6
CID 71463392
Piperazine derivative, 7
CID 71463393
2-Hydroxyethyl-(2-hydroxyheptadecyl)-dimethylazanium iodide
CID 45281167
1-(Diethylamino)hexadecan-2-ol
CID 57390598
Piperazine derivative, 4
CID 71463390
1-(4-Butylpiperazin-1-yl)hexadecan-2-ol
CID 57390599
1-Morpholin-4-ylhexadecan-2-ol
CID 57398466
2-Hexadecanol, 1-[bis(2-hydroxyethyl)amino]-
CID 89236
(2R)-1-[(2S)-1-methylpiperidin-2-yl]nonadecan-2-ol
CID 162651773

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)hexadecan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)hexadecan-2-ol (CID 56835127) is 1-(4-methylpiperazin-1-yl)hexadecan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)hexadecan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CN1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)hexadecan-2-ol?
The InChIKey is POBGRRWXIIWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)20-23-18-16-22(2)17-19-23/h21,24H,3-20H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)hexadecan-2-ol?
1-(4-methylpiperazin-1-yl)hexadecan-2-ol has a molecular weight of 340.60 g/mol, XLogP of 4.69, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)hexadecan-2-ol is sourced from PubChem (CID 56835127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).