1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine

C19H37IN2 — CID 170054353

IUPAC1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
SMILESCCCCCCC(CI)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H37IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9,19H,4-8,10-17H2,1-3H3/b18-9-
InChIKeyRCRUGMFASJIJNQ-NVMNQCDNSA-N
MW420.42 g/mol
LogP4.98
Rot. Bonds11

About 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine

1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine (PubChem CID 170054353) has the molecular formula C19H37IN2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
PubChem CID170054353
Molecular FormulaC19H37IN2
Molecular Weight420.42 g/mol
Exact Mass420.20
IUPAC Name1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
SMILESCCCCCCC(CI)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C19H37IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9,19H,4-8,10-17H2,1-3H3/b18-9-
InChIKeyRCRUGMFASJIJNQ-NVMNQCDNSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methyl-1,4-diazepane
CID 170054378
1-methyl-4-(3-pentylnonyl)piperazine
CID 126576998
1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
18-(iodomethyl)hexatriacontane
CID 59202244
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
3-(2-butyloctyl)-1-methylazetidine
CID 146488333
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
7-(4-iodobutyl)tridecane
CID 155905887
acetylene;1-methyl-4-octylpiperazine
CID 144712197
[(Z)-octadec-9-enyl] 2-(4-methylpiperazin-1-yl)acetate
CID 10076460
1-(3-pentylundecyl)pyrrolidine
CID 130279564

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine (CID 170054353) is 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine is CCCCCCC(CI)CC/C=C(/C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine?
The InChIKey is RCRUGMFASJIJNQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C19H37IN2/c1-4-5-6-7-10-19(16-20)11-8-9-18(2)17-22-14-12-21(3)13-15-22/h9,19H,4-8,10-17H2,1-3H3/b18-9-.
What are the key properties of 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine?
1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine has a molecular weight of 420.42 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine is sourced from PubChem (CID 170054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).